1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide

C99H132N12O9 — CID 161257524

About 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide

1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide (PubChem CID 161257524) has the molecular formula C99H132N12O9 and a molecular weight of 1634.22 g/mol. Its IUPAC name is 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide
• PubChem CID: 161257524
• Molecular Formula: C99H132N12O9
• Molecular Weight: 1634.22 g/mol
• Exact Mass: 1633.02
• IUPAC Name: 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide
• SMILES: CCCCC1CCN(CCCn2cc(C(=O)N(C)OC)c3ccccc32)CC1.CON(C)C(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CON(C)C(=O)c1cn(CCCN2CCC3CCCCC3C2)c2ccccc12.COc1ccc2c(c1)C1=C(C2)CN(CCCn2cc(C(=O)N(C)OC)c3ccccc32)CC1
• InChI: InChI=1S/C27H31N3O3.C26H33N3O2.C23H33N3O2.C23H35N3O2/c1-28(33-3)27(31)25-18-30(26-8-5-4-7-23(25)26)13-6-12-29-14-11-22-20(17-29)15-19-9-10-21(32-2)16-24(19)22;1-27(31-2)26(30)24-20-29(25-12-7-6-11-23(24)25)16-8-15-28-17-13-22(14-18-28)19-21-9-4-3-5-10-21;1-24(28-2)23(27)21-17-26(22-11-6-5-10-20(21)22)14-7-13-25-15-12-18-8-3-4-9-19(18)16-25;1-4-5-9-19-12-16-25(17-13-19)14-8-15-26-18-21(23(27)24(2)28-3)20-10-6-7-11-22(20)26/h4-5,7-10,16,18H,6,11-15,17H2,1-3H3;3-7,9-12,20,22H,8,13-19H2,1-2H3;5-6,10-11,17-19H,3-4,7-9,12-16H2,1-2H3;6-7,10-11,18-19H,4-5,8-9,12-17H2,1-3H3
• InChIKey: VCCUSPLDQUZVAU-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 160.07 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.22
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?

The IUPAC name of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide (CID 161257524) is 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide.

What is the SMILES notation for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?

The canonical SMILES for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide is CCCCC1CCN(CCCn2cc(C(=O)N(C)OC)c3ccccc32)CC1.CON(C)C(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CON(C)C(=O)c1cn(CCCN2CCC3CCCCC3C2)c2ccccc12.COc1ccc2c(c1)C1=C(C2)CN(CCCn2cc(C(=O)N(C)OC)c3ccccc32)CC1.

What is the InChIKey of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?

The InChIKey is VCCUSPLDQUZVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3.C26H33N3O2.C23H33N3O2.C23H35N3O2/c1-28(33-3)27(31)25-18-30(26-8-5-4-7-23(25)26)13-6-12-29-14-11-22-20(17-29)15-19-9-10-21(32-2)16-24(19)22;1-27(31-2)26(30)24-20-29(25-12-7-6-11-23(24)25)16-8-15-28-17-13-22(14-18-28)19-21-9-4-3-5-10-21;1-24(28-2)23(27)21-17-26(22-11-6-5-10-20(21)22)14-7-13-25-15-12-18-8-3-4-9-19(18)16-25;1-4-5-9-19-12-16-25(17-13-19)14-8-15-26-18-21(23(27)24(2)28-3)20-10-6-7-11-22(20)26/h4-5,7-10,16,18H,6,11-15,17H2,1-3H3;3-7,9-12,20,22H,8,13-19H2,1-2H3;5-6,10-11,17-19H,3-4,7-9,12-16H2,1-2H3;6-7,10-11,18-19H,4-5,8-9,12-17H2,1-3H3.

What are the key properties of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide?

1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide has a molecular weight of 1634.22 g/mol, XLogP of 17.75, 30 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-methoxy-N-methylindole-3-carboxamide;N-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)propyl]-N-methylindole-3-carboxamide is sourced from PubChem (CID 161257524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).