1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C32H37N3O — CID 50807526

IUPAC1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1Cn1c(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc2ccccc21
InChIInChI=1S/C32H37N3O/c1-23(2)25-12-14-29(15-13-25)33-32(36)26-16-18-34(19-17-26)22-30-20-27-9-6-7-11-31(27)35(30)21-28-10-5-4-8-24(28)3/h4-15,20,23,26H,16-19,21-22H2,1-3H3,(H,33,36)
InChIKeyPCEPVUUALDICPT-UHFFFAOYSA-N
MW479.67 g/mol
LogP6.97
Rot. Bonds7

About 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 50807526) has the molecular formula C32H37N3O and a molecular weight of 479.67 g/mol. Its IUPAC name is 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID50807526
Molecular FormulaC32H37N3O
Molecular Weight479.67 g/mol
Exact Mass479.29
IUPAC Name1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1Cn1c(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc2ccccc21
InChIInChI=1S/C32H37N3O/c1-23(2)25-12-14-29(15-13-25)33-32(36)26-16-18-34(19-17-26)22-30-20-27-9-6-7-11-31(27)35(30)21-28-10-5-4-8-24(28)3/h4-15,20,23,26H,16-19,21-22H2,1-3H3,(H,33,36)
InChIKeyPCEPVUUALDICPT-UHFFFAOYSA-N
XLogP6.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 94223708
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807813
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide
CID 22585874
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 50807763
N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807667
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 50807719
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
N-(2,4-dimethylphenyl)-1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807608
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 50807526) is 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is Cc1ccccc1Cn1c(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc2ccccc21.
What is the InChIKey of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is PCEPVUUALDICPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O/c1-23(2)25-12-14-29(15-13-25)33-32(36)26-16-18-34(19-17-26)22-30-20-27-9-6-7-11-31(27)35(30)21-28-10-5-4-8-24(28)3/h4-15,20,23,26H,16-19,21-22H2,1-3H3,(H,33,36).
What are the key properties of 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 479.67 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50807526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).