N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide

C30H40N4O — CID 50807588

IUPACN-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C30H40N4O/c35-30(31-16-21-32-17-8-1-2-9-18-32)26-14-19-33(20-15-26)24-28-22-27-12-6-7-13-29(27)34(28)23-25-10-4-3-5-11-25/h3-7,10-13,22,26H,1-2,8-9,14-21,23-24H2,(H,31,35)
InChIKeyCKOUVIWGTFCSGQ-UHFFFAOYSA-N
MW472.68 g/mol
LogP4.89
Rot. Bonds8

About N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 50807588) has the molecular formula C30H40N4O and a molecular weight of 472.68 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID50807588
Molecular FormulaC30H40N4O
Molecular Weight472.68 g/mol
Exact Mass472.32
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C30H40N4O/c35-30(31-16-21-32-17-8-1-2-9-18-32)26-14-19-33(20-15-26)24-28-22-27-12-6-7-13-29(27)34(28)23-25-10-4-3-5-11-25/h3-7,10-13,22,26H,1-2,8-9,14-21,23-24H2,(H,31,35)
InChIKeyCKOUVIWGTFCSGQ-UHFFFAOYSA-N
XLogP4.89
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.68
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 50807560
1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 50807695
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 50807561
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 50807756
N-butyl-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807674
1-[(1-benzylindol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50807953
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 94083872
N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807625
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807728

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide (CID 50807588) is N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide is O=C(NCCN1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CKOUVIWGTFCSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O/c35-30(31-16-21-32-17-8-1-2-9-18-32)26-14-19-33(20-15-26)24-28-22-27-12-6-7-13-29(27)34(28)23-25-10-4-3-5-11-25/h3-7,10-13,22,26H,1-2,8-9,14-21,23-24H2,(H,31,35).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 472.68 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50807588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).