1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide

C79H84N10O9 — CID 157065618

IUPAC1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
SMILESCC(=O)n1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2C)CC1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C30H30N4O4.C25H27N3O3.C24H27N3O2/c1-31(20-22-7-3-2-4-8-22)29(35)24-15-17-32(18-16-24)30(36)28-19-25-9-5-6-10-27(25)33(28)21-23-11-13-26(14-12-23)34(37)38;1-18(29)28-22-11-7-6-10-21(22)16-23(28)25(31)27-14-12-20(13-15-27)24(30)26(2)17-19-8-4-3-5-9-19;1-25(17-18-8-4-3-5-9-18)23(28)19-12-14-27(15-13-19)24(29)22-16-20-10-6-7-11-21(20)26(22)2/h2-14,19,24H,15-18,20-21H2,1H3;3-11,16,20H,12-15,17H2,1-2H3;3-11,16,19H,12-15,17H2,1-2H3
InChIKeyABVMYUNQXSYTJF-UHFFFAOYSA-N
MW1317.60 g/mol
LogP12.61
Rot. Bonds15

About 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide

1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide (PubChem CID 157065618) has the molecular formula C79H84N10O9 and a molecular weight of 1317.60 g/mol. Its IUPAC name is 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
PubChem CID157065618
Molecular FormulaC79H84N10O9
Molecular Weight1317.60 g/mol
Exact Mass1316.64
IUPAC Name1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
SMILESCC(=O)n1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2C)CC1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C30H30N4O4.C25H27N3O3.C24H27N3O2/c1-31(20-22-7-3-2-4-8-22)29(35)24-15-17-32(18-16-24)30(36)28-19-25-9-5-6-10-27(25)33(28)21-23-11-13-26(14-12-23)34(37)38;1-18(29)28-22-11-7-6-10-21(22)16-23(28)25(31)27-14-12-20(13-15-27)24(30)26(2)17-19-8-4-3-5-9-19;1-25(17-18-8-4-3-5-9-18)23(28)19-12-14-27(15-13-19)24(29)22-16-20-10-6-7-11-21(20)26(22)2/h2-14,19,24H,15-18,20-21H2,1H3;3-11,16,20H,12-15,17H2,1-2H3;3-11,16,19H,12-15,17H2,1-2H3
InChIKeyABVMYUNQXSYTJF-UHFFFAOYSA-N
XLogP12.61
TPSA196.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.60
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide (CID 157065618) is 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide is CC(=O)n1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2C)CC1.CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is ABVMYUNQXSYTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4.C25H27N3O3.C24H27N3O2/c1-31(20-22-7-3-2-4-8-22)29(35)24-15-17-32(18-16-24)30(36)28-19-25-9-5-6-10-27(25)33(28)21-23-11-13-26(14-12-23)34(37)38;1-18(29)28-22-11-7-6-10-21(22)16-23(28)25(31)27-14-12-20(13-15-27)24(30)26(2)17-19-8-4-3-5-9-19;1-25(17-18-8-4-3-5-9-18)23(28)19-12-14-27(15-13-19)24(29)22-16-20-10-6-7-11-21(20)26(22)2/h2-14,19,24H,15-18,20-21H2,1H3;3-11,16,20H,12-15,17H2,1-2H3;3-11,16,19H,12-15,17H2,1-2H3.
What are the key properties of 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide?
1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 1317.60 g/mol, XLogP of 12.61, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylindole-2-carbonyl)-N-benzyl-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-nitrophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 157065618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).