1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C21H30N4O3 — CID 120887120

IUPAC1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOCC1(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CCNCC1
InChIInChI=1S/C21H30N4O3/c1-28-14-21(8-10-22-11-9-21)13-23-19(26)15-6-7-18-17(12-15)24-20(27)25(18)16-4-2-3-5-16/h6-7,12,16,22H,2-5,8-11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyONHLBUZIWMDSKQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.19
Rot. Bonds6

About 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 120887120) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID120887120
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOCC1(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CCNCC1
InChIInChI=1S/C21H30N4O3/c1-28-14-21(8-10-22-11-9-21)13-23-19(26)15-6-7-18-17(12-15)24-20(27)25(18)16-4-2-3-5-16/h6-7,12,16,22H,2-5,8-11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyONHLBUZIWMDSKQ-UHFFFAOYSA-N
XLogP2.19
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
4-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
1-cyclopentyl-N-(3-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 120555427
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 120887081
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 120887120) is 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is COCC1(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)CCNCC1.
What is the InChIKey of 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is ONHLBUZIWMDSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-28-14-21(8-10-22-11-9-21)13-23-19(26)15-6-7-18-17(12-15)24-20(27)25(18)16-4-2-3-5-16/h6-7,12,16,22H,2-5,8-11,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 120887120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).