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

C19H25N3O2 — CID 17396226

IUPAC3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H25N3O2/c23-18(14-6-2-1-3-7-14)21-12-10-15(11-13-21)22-17-9-5-4-8-16(17)20-19(22)24/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,24)
InChIKeyBBBVFULAGTVRET-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.07
Rot. Bonds2

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

3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 17396226) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID17396226
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H25N3O2/c23-18(14-6-2-1-3-7-14)21-12-10-15(11-13-21)22-17-9-5-4-8-16(17)20-19(22)24/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,24)
InChIKeyBBBVFULAGTVRET-UHFFFAOYSA-N
XLogP3.07
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 17396226) is 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is BBBVFULAGTVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(14-6-2-1-3-7-14)21-12-10-15(11-13-21)22-17-9-5-4-8-16(17)20-19(22)24/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,24).
What are the key properties of 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 17396226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).