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

C185H243N27O19 — CID 158740260

IUPAC4-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
SMILESCC(=O)N1CCN(C(=O)NCC(O)CN2CCc3ccccc3C2)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)N1CCCC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N4O2.2C24H31N3O3.2C24H31N3O2.C23H30N4O2.C23H29N3O2.C19H28N4O3/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(18-26-14-12-20-9-4-5-10-21(20)16-26)15-25-24(29)27-13-6-11-22(17-27)19-7-2-1-3-8-19;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;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;1-15(24)22-8-10-23(11-9-22)19(26)20-12-18(25)14-21-7-6-16-4-2-3-5-17(16)13-21/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);1-5,7-10,22-23,28H,6,11-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,22,28H,10-18H2,(H,24,29);1-9,21-22,27H,10-17H2,(H,24,28);2-5,18,25H,6-14H2,1H3,(H,20,26)
InChIKeyIMEXQQNWCPKMFB-UHFFFAOYSA-N
MW3149.15 g/mol
LogP18.06
Rot. Bonds42

About 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

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 (PubChem CID 158740260) has the molecular formula C185H243N27O19 and a molecular weight of 3149.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID158740260
Molecular FormulaC185H243N27O19
Molecular Weight3149.15 g/mol
Exact Mass3146.89
IUPAC Name4-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
SMILESCC(=O)N1CCN(C(=O)NCC(O)CN2CCc3ccccc3C2)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)N1CCCC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N4O2.2C24H31N3O3.2C24H31N3O2.C23H30N4O2.C23H29N3O2.C19H28N4O3/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(18-26-14-12-20-9-4-5-10-21(20)16-26)15-25-24(29)27-13-6-11-22(17-27)19-7-2-1-3-8-19;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;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;1-15(24)22-8-10-23(11-9-22)19(26)20-12-18(25)14-21-7-6-16-4-2-3-5-17(16)13-21/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);1-5,7-10,22-23,28H,6,11-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,22,28H,10-18H2,(H,24,29);1-9,21-22,27H,10-17H2,(H,24,28);2-5,18,25H,6-14H2,1H3,(H,20,26)
InChIKeyIMEXQQNWCPKMFB-UHFFFAOYSA-N
XLogP18.06
TPSA491.73 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003149.15
LogP ≤ 518.06
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Analyze 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 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
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
3-ethyl-7-[[(3R,4R)-4-[4-[3-[(2-ethylphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1H-benzimidazol-2-one;2-(3-fluorophenyl)-N-[2-[4-[(3R,4R)-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidin-4-yl]phenoxy]ethyl]ethanamine;6-[(1S)-1-[(3R,4R)-4-(4-methoxyphenyl)piperidin-3-yl]oxyethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;4-(3-methoxypropyl)-6-[[(3R,4R)-4-[4-(2-methylpropoxy)phenyl]piperidin-3-yl]oxymethyl]-2,3-dihydro-1,4-benzoxazine
CID 160092993
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(C(=O)NCC(O)CN2CCc3ccccc3C2)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)N1CCCC(c2ccccc2)C1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 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?
The InChIKey is IMEXQQNWCPKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.2C24H31N3O3.2C24H31N3O2.C23H30N4O2.C23H29N3O2.C19H28N4O3/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(18-26-14-12-20-9-4-5-10-21(20)16-26)15-25-24(29)27-13-6-11-22(17-27)19-7-2-1-3-8-19;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;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;1-15(24)22-8-10-23(11-9-22)19(26)20-12-18(25)14-21-7-6-16-4-2-3-5-17(16)13-21/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);1-5,7-10,22-23,28H,6,11-18H2,(H,25,29);1-9,21,23,28H,10-18H2,(H,25,29);1-9,22,28H,10-18H2,(H,24,29);1-9,21-22,27H,10-17H2,(H,24,28);2-5,18,25H,6-14H2,1H3,(H,20,26).
What are the key properties of 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?
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 has a molecular weight of 3149.15 g/mol, XLogP of 18.06, 42 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158740260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).