4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide

C20H27N5O2 — CID 122564123

IUPAC4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc2nc(CCNC(=O)N3CCN(C4CCCC4)C(=O)C3)[nH]c2c1
InChIInChI=1S/C20H27N5O2/c1-14-6-7-16-17(12-14)23-18(22-16)8-9-21-20(27)24-10-11-25(19(26)13-24)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,21,27)(H,22,23)
InChIKeyDTQVWJBEGJZXNP-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.21
Rot. Bonds4

About 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide

4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 122564123) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
PubChem CID122564123
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc2nc(CCNC(=O)N3CCN(C4CCCC4)C(=O)C3)[nH]c2c1
InChIInChI=1S/C20H27N5O2/c1-14-6-7-16-17(12-14)23-18(22-16)8-9-21-20(27)24-10-11-25(19(26)13-24)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,21,27)(H,22,23)
InChIKeyDTQVWJBEGJZXNP-UHFFFAOYSA-N
XLogP2.21
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propanoyl]piperazin-2-one
CID 135097253
2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 118787936
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370
4-cyclohexyl-N-[(2,6-difluoro-3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 119071281
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 122571045
(3S,4S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 119071006
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72904285
formic acid;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 154910271
4-[(1S)-1-hydroxy-3-methylbutyl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 126440237

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide (CID 122564123) is 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide is Cc1ccc2nc(CCNC(=O)N3CCN(C4CCCC4)C(=O)C3)[nH]c2c1.
What is the InChIKey of 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is DTQVWJBEGJZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-6-7-16-17(12-14)23-18(22-16)8-9-21-20(27)24-10-11-25(19(26)13-24)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,21,27)(H,22,23).
What are the key properties of 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide?
4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 122564123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).