3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C20H27N3O2 — CID 172968110

IUPAC3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC1CCCC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H27N3O2/c1-2-14-6-5-7-16(14)19(24)22-12-10-15(11-13-22)23-18-9-4-3-8-17(18)21-20(23)25/h3-4,8-9,14-16H,2,5-7,10-13H2,1H3,(H,21,25)
InChIKeyVWAXOBRLVFGZEW-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.32
Rot. Bonds3

About 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968110) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968110
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC1CCCC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H27N3O2/c1-2-14-6-5-7-16(14)19(24)22-12-10-15(11-13-22)23-18-9-4-3-8-17(18)21-20(23)25/h3-4,8-9,14-16H,2,5-7,10-13H2,1H3,(H,21,25)
InChIKeyVWAXOBRLVFGZEW-UHFFFAOYSA-N
XLogP3.32
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172967992
3-[1-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 94526549
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968110) is 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is CCC1CCCC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VWAXOBRLVFGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-14-6-5-7-16(14)19(24)22-12-10-15(11-13-22)23-18-9-4-3-8-17(18)21-20(23)25/h3-4,8-9,14-16H,2,5-7,10-13H2,1H3,(H,21,25).
What are the key properties of 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 341.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).