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

C18H23N3O2 — CID 17393222

IUPAC3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C18H23N3O2/c22-17(13-5-1-2-6-13)20-11-9-14(10-12-20)21-16-8-4-3-7-15(16)19-18(21)23/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,19,23)
InChIKeyAIHHUDGRICELFT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.68
Rot. Bonds2

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

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 17393222) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID17393222
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C18H23N3O2/c22-17(13-5-1-2-6-13)20-11-9-14(10-12-20)21-16-8-4-3-7-15(16)19-18(21)23/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,19,23)
InChIKeyAIHHUDGRICELFT-UHFFFAOYSA-N
XLogP2.68
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 17393222) is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is AIHHUDGRICELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(13-5-1-2-6-13)20-11-9-14(10-12-20)21-16-8-4-3-7-15(16)19-18(21)23/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,19,23).
What are the key properties of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 17393222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).