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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C230H299N33O23 — CID 160722807

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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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)N1CCCCc2ccccc21.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C24H32N4O2.2C24H31N3O3.2C24H31N3O2.C23H30N4O2.2C23H29N3O2.C22H27N3O2.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;27-21(17-25-14-12-18-7-1-2-10-20(18)16-25)15-24-23(28)26-13-6-5-9-19-8-3-4-11-22(19)26;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;1-15(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);1-4,7-8,10-11,21,27H,5-6,9,12-17H2,(H,24,28);1-9,21-22,27H,10-17H2,(H,24,28);1-8,21,26H,9-16H2,(H,23,27);2-5,18,25H,6-14H2,1H3,(H,20,26)
InChIKeyRTIAMAUMFGKVSD-UHFFFAOYSA-N
MW3894.13 g/mol
LogP23.19
Rot. Bonds50

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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 160722807) has the molecular formula C230H299N33O23 and a molecular weight of 3894.13 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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID160722807
Molecular FormulaC230H299N33O23
Molecular Weight3894.13 g/mol
Exact Mass3891.32
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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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)N1CCCCc2ccccc21.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C24H32N4O2.2C24H31N3O3.2C24H31N3O2.C23H30N4O2.2C23H29N3O2.C22H27N3O2.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;27-21(17-25-14-12-18-7-1-2-10-20(18)16-25)15-24-23(28)26-13-6-5-9-19-8-3-4-11-22(19)26;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;1-15(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);1-4,7-8,10-11,21,27H,5-6,9,12-17H2,(H,24,28);1-9,21-22,27H,10-17H2,(H,24,28);1-8,21,26H,9-16H2,(H,23,27);2-5,18,25H,6-14H2,1H3,(H,20,26)
InChIKeyRTIAMAUMFGKVSD-UHFFFAOYSA-N
XLogP23.19
TPSA603.35 Ų
H-Bond Donors20
H-Bond Acceptors35
Rotatable Bonds50
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003894.13
LogP ≤ 523.19
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1035

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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide with MolForge

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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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 160722807) 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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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)N1CCCCc2ccccc21.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCN(c2ccccc2)CC1.O=C(NCC(O)CN1CCc2ccccc2C1)N1CCc2ccccc2C1.
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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is RTIAMAUMFGKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.2C24H31N3O3.2C24H31N3O2.C23H30N4O2.2C23H29N3O2.C22H27N3O2.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;27-21(17-25-14-12-18-7-1-2-10-20(18)16-25)15-24-23(28)26-13-6-5-9-19-8-3-4-11-22(19)26;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;1-15(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);1-4,7-8,10-11,21,27H,5-6,9,12-17H2,(H,24,28);1-9,21-22,27H,10-17H2,(H,24,28);1-8,21,26H,9-16H2,(H,23,27);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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 3894.13 g/mol, XLogP of 23.19, 50 rotatable bonds, 20 hydrogen bond donors, and 35 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]-3,4-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]-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;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 160722807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).