1-benzyl-N-cyclopentylindole-3-carboxamide

C21H22N2O — CID 26721989

IUPAC1-benzyl-N-cyclopentylindole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H22N2O/c24-21(22-17-10-4-5-11-17)19-15-23(14-16-8-2-1-3-9-16)20-13-7-6-12-18(19)20/h1-3,6-9,12-13,15,17H,4-5,10-11,14H2,(H,22,24)
InChIKeyGEAWLCHOZQXTSZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.36
Rot. Bonds4

About 1-benzyl-N-cyclopentylindole-3-carboxamide

1-benzyl-N-cyclopentylindole-3-carboxamide (PubChem CID 26721989) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-benzyl-N-cyclopentylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopentylindole-3-carboxamide
PubChem CID26721989
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-benzyl-N-cyclopentylindole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H22N2O/c24-21(22-17-10-4-5-11-17)19-15-23(14-16-8-2-1-3-9-16)20-13-7-6-12-18(19)20/h1-3,6-9,12-13,15,17H,4-5,10-11,14H2,(H,22,24)
InChIKeyGEAWLCHOZQXTSZ-UHFFFAOYSA-N
XLogP4.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
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3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
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N-cyclopentyl-1-methylindole-3-carboxamide
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1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopentylindole-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopentylindole-3-carboxamide (CID 26721989) is 1-benzyl-N-cyclopentylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopentylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopentylindole-3-carboxamide is O=C(NC1CCCC1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-cyclopentylindole-3-carboxamide?
The InChIKey is GEAWLCHOZQXTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c24-21(22-17-10-4-5-11-17)19-15-23(14-16-8-2-1-3-9-16)20-13-7-6-12-18(19)20/h1-3,6-9,12-13,15,17H,4-5,10-11,14H2,(H,22,24).
What are the key properties of 1-benzyl-N-cyclopentylindole-3-carboxamide?
1-benzyl-N-cyclopentylindole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopentylindole-3-carboxamide is sourced from PubChem (CID 26721989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).