4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide

C207H271N31O20 — CID 165041810

IUPAC4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
SMILESC=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(C(C)=O)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(Oc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCCC(Oc2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCNC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C24H32N4O2.2C24H31N3O3.C24H31N3O2.2C23H30N4O2.C23H29N3O2.C22H27N3O2.C20H30N4O2/c29-23(19-27-11-10-21-8-4-5-9-22(21)18-27)16-25-24(30)28-14-12-26(13-15-28)17-20-6-2-1-3-7-20;28-21(17-26-14-12-19-7-4-5-8-20(19)16-26)15-25-24(29)27-13-6-11-23(18-27)30-22-9-2-1-3-10-22;28-21(18-26-13-10-19-6-4-5-7-20(19)17-26)16-25-24(29)27-14-11-23(12-15-27)30-22-8-2-1-3-9-22;28-23(18-26-13-10-20-8-4-5-9-22(20)17-26)16-25-24(29)27-14-11-21(12-15-27)19-6-2-1-3-7-19;28-22(18-25-11-10-19-6-4-5-7-20(19)17-25)16-24-23(29)27-14-12-26(13-15-27)21-8-2-1-3-9-21;28-21(16-26-12-10-18-6-4-5-9-20(18)15-26)14-25-23(29)27-13-11-24-22(17-27)19-7-2-1-3-8-19;27-22(17-25-12-10-19-8-4-5-9-20(19)15-25)14-24-23(28)26-13-11-21(16-26)18-6-2-1-3-7-18;26-21(16-24-11-9-17-5-1-3-7-19(17)14-24)13-23-22(27)25-12-10-18-6-2-4-8-20(18)15-25;1-16(23-9-11-24(12-10-23)17(2)25)21-13-20(26)15-22-8-7-18-5-3-4-6-19(18)14-22/h1-9,23,29H,10-19H2,(H,25,30);1-5,7-10,21,23,28H,6,11-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,22,28H,10-18H2,(H,24,29);1-9,21-22,24,28H,10-17H2,(H,25,29);1-9,21-22,27H,10-17H2,(H,24,28);1-8,21,26H,9-16H2,(H,23,27);3-6,20-21,26H,1,7-15H2,2H3
InChIKeyOGCFKWAKDPIMFJ-UHFFFAOYSA-N
MW3513.64 g/mol
LogP19.35
Rot. Bonds48

About 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide

4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 165041810) has the molecular formula C207H271N31O20 and a molecular weight of 3513.64 g/mol. Its IUPAC name is 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID165041810
Molecular FormulaC207H271N31O20
Molecular Weight3513.64 g/mol
Exact Mass3511.11
IUPAC Name4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
SMILESC=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(C(C)=O)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(Oc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCCC(Oc2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCNC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C24H32N4O2.2C24H31N3O3.C24H31N3O2.2C23H30N4O2.C23H29N3O2.C22H27N3O2.C20H30N4O2/c29-23(19-27-11-10-21-8-4-5-9-22(21)18-27)16-25-24(30)28-14-12-26(13-15-28)17-20-6-2-1-3-7-20;28-21(17-26-14-12-19-7-4-5-8-20(19)16-26)15-25-24(29)27-13-6-11-23(18-27)30-22-9-2-1-3-10-22;28-21(18-26-13-10-19-6-4-5-7-20(19)17-26)16-25-24(29)27-14-11-23(12-15-27)30-22-8-2-1-3-9-22;28-23(18-26-13-10-20-8-4-5-9-22(20)17-26)16-25-24(29)27-14-11-21(12-15-27)19-6-2-1-3-7-19;28-22(18-25-11-10-19-6-4-5-7-20(19)17-25)16-24-23(29)27-14-12-26(13-15-27)21-8-2-1-3-9-21;28-21(16-26-12-10-18-6-4-5-9-20(18)15-26)14-25-23(29)27-13-11-24-22(17-27)19-7-2-1-3-8-19;27-22(17-25-12-10-19-8-4-5-9-20(19)15-25)14-24-23(28)26-13-11-21(16-26)18-6-2-1-3-7-18;26-21(16-24-11-9-17-5-1-3-7-19(17)14-24)13-23-22(27)25-12-10-18-6-2-4-8-20(18)15-25;1-16(23-9-11-24(12-10-23)17(2)25)21-13-20(26)15-22-8-7-18-5-3-4-6-19(18)14-22/h1-9,23,29H,10-19H2,(H,25,30);1-5,7-10,21,23,28H,6,11-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,22,28H,10-18H2,(H,24,29);1-9,21-22,24,28H,10-17H2,(H,25,29);1-9,21-22,27H,10-17H2,(H,24,28);1-8,21,26H,9-16H2,(H,23,27);3-6,20-21,26H,1,7-15H2,2H3
InChIKeyOGCFKWAKDPIMFJ-UHFFFAOYSA-N
XLogP19.35
TPSA542.50 Ų
H-Bond Donors19
H-Bond Acceptors34
Rotatable Bonds48
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003513.64
LogP ≤ 519.35
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1034

Analyze 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-(3-hydroxypropyl)-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-(3-methoxypropyl)-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 157167906
2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(1-phenylpropan-2-yl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-propylbenzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 157752245
4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 158126157
4-acetyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
CID 158740260
1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 159586253
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azaspiro[5.5]undecane;bis(1-benzylpiperidine);4-benzylpiperidine;cyclohexylbenzene;2,3-dihydro-1H-indene;2,6-dimethylmorpholine;4-ethynylpiperidine;1-(phenoxymethyl)piperidine;1-(2-phenylethyl)piperidine;bis(1-phenylpiperidine);2-piperazin-1-yl-1-piperidin-1-ylethanone;bis(piperidine);4-piperidin-4-ylmorpholine;1-propan-2-ylpiperazine
CID 159978913
CID 160722807
CID 160722807
1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine
CID 161419883
2,2-Dimethyl-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one;2,2-dimethyl-1-(2-methyl-4-phenylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-[3-(4-methylphenyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 161596360
1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine
CID 161788609
[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[4-(tert-butylamino)phenyl]-1-(2,2-dimethylpropyl)piperidine-4-carboxamide;N-[[4-[3-(tert-butylamino)propoxy]phenyl]methyl]-N-ethyl-2,2-dimethylpropan-1-amine;N-[[4-[2-[tert-butyl(methyl)amino]ethoxy]phenyl]methyl]-N,2,2-trimethylpropan-1-amine;1-[[4-(3,3-dimethylbutyl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperazine;1-[[4-(4,4-dimethylpentan-2-yl)phenyl]methyl]-4-(2,2-dimethylpropyl)piperidine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[1-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-N,2-dimethylpropan-2-amine;N-[2-[4-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 164981080

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide (CID 165041810) is 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide is C=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(C(C)=O)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(Oc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCC(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCCC(Oc2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCNC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCc2ccccc2C1.
What is the InChIKey of 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is OGCFKWAKDPIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.2C24H31N3O3.C24H31N3O2.2C23H30N4O2.C23H29N3O2.C22H27N3O2.C20H30N4O2/c29-23(19-27-11-10-21-8-4-5-9-22(21)18-27)16-25-24(30)28-14-12-26(13-15-28)17-20-6-2-1-3-7-20;28-21(17-26-14-12-19-7-4-5-8-20(19)16-26)15-25-24(29)27-13-6-11-23(18-27)30-22-9-2-1-3-10-22;28-21(18-26-13-10-19-6-4-5-7-20(19)17-26)16-25-24(29)27-14-11-23(12-15-27)30-22-8-2-1-3-9-22;28-23(18-26-13-10-20-8-4-5-9-22(20)17-26)16-25-24(29)27-14-11-21(12-15-27)19-6-2-1-3-7-19;28-22(18-25-11-10-19-6-4-5-7-20(19)17-25)16-24-23(29)27-14-12-26(13-15-27)21-8-2-1-3-9-21;28-21(16-26-12-10-18-6-4-5-9-20(18)15-26)14-25-23(29)27-13-11-24-22(17-27)19-7-2-1-3-8-19;27-22(17-25-12-10-19-8-4-5-9-20(19)15-25)14-24-23(28)26-13-11-21(16-26)18-6-2-1-3-7-18;26-21(16-24-11-9-17-5-1-3-7-19(17)14-24)13-23-22(27)25-12-10-18-6-2-4-8-20(18)15-25;1-16(23-9-11-24(12-10-23)17(2)25)21-13-20(26)15-22-8-7-18-5-3-4-6-19(18)14-22/h1-9,23,29H,10-19H2,(H,25,30);1-5,7-10,21,23,28H,6,11-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,22,28H,10-18H2,(H,24,29);1-9,21-22,24,28H,10-17H2,(H,25,29);1-9,21-22,27H,10-17H2,(H,24,28);1-8,21,26H,9-16H2,(H,23,27);3-6,20-21,26H,1,7-15H2,2H3.
What are the key properties of 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide?
4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 3513.64 g/mol, XLogP of 19.35, 48 rotatable bonds, 19 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;1-[4-[1-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]ethenyl]piperazin-1-yl]ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 165041810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).