3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one

C14H17N3O2 — CID 17408507

IUPAC3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C14H17N3O2/c1-10(18)16-8-6-11(7-9-16)17-13-5-3-2-4-12(13)15-14(17)19/h2-5,11H,6-9H2,1H3,(H,15,19)
InChIKeyFJWQUDJXXMCZGT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds1

About 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one

3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one (PubChem CID 17408507) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one
PubChem CID17408507
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one
SMILESCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C14H17N3O2/c1-10(18)16-8-6-11(7-9-16)17-13-5-3-2-4-12(13)15-14(17)19/h2-5,11H,6-9H2,1H3,(H,15,19)
InChIKeyFJWQUDJXXMCZGT-UHFFFAOYSA-N
XLogP1.51
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one (CID 17408507) is 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one is CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one?
The InChIKey is FJWQUDJXXMCZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(18)16-8-6-11(7-9-16)17-13-5-3-2-4-12(13)15-14(17)19/h2-5,11H,6-9H2,1H3,(H,15,19).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one?
3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 17408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).