3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one

C15H21N3O — CID 22928768

IUPAC3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one
SMILESCCCc1cccc2[nH]c(=O)n(C3CCNCC3)c12
InChIInChI=1S/C15H21N3O/c1-2-4-11-5-3-6-13-14(11)18(15(19)17-13)12-7-9-16-10-8-12/h3,5-6,12,16H,2,4,7-10H2,1H3,(H,17,19)
InChIKeyWAZBVKZHQMCJJJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.21
Rot. Bonds3

About 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one

3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one (PubChem CID 22928768) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one
PubChem CID22928768
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one
SMILESCCCc1cccc2[nH]c(=O)n(C3CCNCC3)c12
InChIInChI=1S/C15H21N3O/c1-2-4-11-5-3-6-13-14(11)18(15(19)17-13)12-7-9-16-10-8-12/h3,5-6,12,16H,2,4,7-10H2,1H3,(H,17,19)
InChIKeyWAZBVKZHQMCJJJ-UHFFFAOYSA-N
XLogP2.21
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
4-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 84796017
3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one
CID 175920644
4-bromo-3-pyrrolidin-3-yl-1H-benzimidazol-2-one
CID 84642973
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
CID 117208577
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
1-piperidin-4-yl-7-propyl-3H-indol-2-one
CID 84637451
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
5-fluoro-3-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazol-2-one;hydrochloride
CID 172968627
4-fluoro-3-piperidin-3-yl-1H-benzimidazol-2-one
CID 84797339
4-ethyl-3-methyl-1H-benzimidazol-2-one
CID 84618376

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one?
The IUPAC name of 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one (CID 22928768) is 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one is CCCc1cccc2[nH]c(=O)n(C3CCNCC3)c12.
What is the InChIKey of 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one?
The InChIKey is WAZBVKZHQMCJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-4-11-5-3-6-13-14(11)18(15(19)17-13)12-7-9-16-10-8-12/h3,5-6,12,16H,2,4,7-10H2,1H3,(H,17,19).
What are the key properties of 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one?
3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4-propyl-1H-benzimidazol-2-one is sourced from PubChem (CID 22928768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).