N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide

C91H106Cl2N10O3 — CID 158033019

IUPACN-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
SMILESCC(CNCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)c1ccccc1.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(N4CCCC4)CC3)c3ccccc23)c1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12
InChIInChI=1S/C34H38ClN3O.C29H38N4O.C28H30ClN3O/c35-28-15-13-26(14-16-28)23-36-34(39)32-24-37(33-10-5-4-9-31(32)33)19-6-20-38-29-17-18-30(38)22-27(21-29)12-11-25-7-2-1-3-8-25;1-23-8-6-9-24(20-23)21-30-29(34)27-22-33(28-11-3-2-10-26(27)28)17-7-14-31-18-12-25(13-19-31)32-15-4-5-16-32;1-21(23-8-3-2-4-9-23)18-30-16-7-17-32-20-26(25-10-5-6-11-27(25)32)28(33)31-19-22-12-14-24(29)15-13-22/h1-5,7-10,13-16,24,27,29-30H,6,11-12,17-23H2,(H,36,39);2-3,6,8-11,20,22,25H,4-5,7,12-19,21H2,1H3,(H,30,34);2-6,8-15,20-21,30H,7,16-19H2,1H3,(H,31,33)
InChIKeyFHKIGIPZHXSSNX-UHFFFAOYSA-N
MW1458.82 g/mol
LogP18.33
Rot. Bonds28

About N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide (PubChem CID 158033019) has the molecular formula C91H106Cl2N10O3 and a molecular weight of 1458.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
PubChem CID158033019
Molecular FormulaC91H106Cl2N10O3
Molecular Weight1458.82 g/mol
Exact Mass1456.78
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
SMILESCC(CNCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)c1ccccc1.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(N4CCCC4)CC3)c3ccccc23)c1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12
InChIInChI=1S/C34H38ClN3O.C29H38N4O.C28H30ClN3O/c35-28-15-13-26(14-16-28)23-36-34(39)32-24-37(33-10-5-4-9-31(32)33)19-6-20-38-29-17-18-30(38)22-27(21-29)12-11-25-7-2-1-3-8-25;1-23-8-6-9-24(20-23)21-30-29(34)27-22-33(28-11-3-2-10-26(27)28)17-7-14-31-18-12-25(13-19-31)32-15-4-5-16-32;1-21(23-8-3-2-4-9-23)18-30-16-7-17-32-20-26(25-10-5-6-11-27(25)32)28(33)31-19-22-12-14-24(29)15-13-22/h1-5,7-10,13-16,24,27,29-30H,6,11-12,17-23H2,(H,36,39);2-3,6,8-11,20,22,25H,4-5,7,12-19,21H2,1H3,(H,30,34);2-6,8-15,20-21,30H,7,16-19H2,1H3,(H,31,33)
InChIKeyFHKIGIPZHXSSNX-UHFFFAOYSA-N
XLogP18.33
TPSA123.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001458.82
LogP ≤ 518.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide (CID 158033019) is N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide is CC(CNCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)c1ccccc1.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(N4CCCC4)CC3)c3ccccc23)c1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
The InChIKey is FHKIGIPZHXSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClN3O.C29H38N4O.C28H30ClN3O/c35-28-15-13-26(14-16-28)23-36-34(39)32-24-37(33-10-5-4-9-31(32)33)19-6-20-38-29-17-18-30(38)22-27(21-29)12-11-25-7-2-1-3-8-25;1-23-8-6-9-24(20-23)21-30-29(34)27-22-33(28-11-3-2-10-26(27)28)17-7-14-31-18-12-25(13-19-31)32-15-4-5-16-32;1-21(23-8-3-2-4-9-23)18-30-16-7-17-32-20-26(25-10-5-6-11-27(25)32)28(33)31-19-22-12-14-24(29)15-13-22/h1-5,7-10,13-16,24,27,29-30H,6,11-12,17-23H2,(H,36,39);2-3,6,8-11,20,22,25H,4-5,7,12-19,21H2,1H3,(H,30,34);2-6,8-15,20-21,30H,7,16-19H2,1H3,(H,31,33).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide has a molecular weight of 1458.82 g/mol, XLogP of 18.33, 28 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide is sourced from PubChem (CID 158033019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).