3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C19H22N4O2 — CID 166626309

IUPAC3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1ccccn1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H22N4O2/c24-18-7-3-4-10-22(18)14-13-21-11-8-15(9-12-21)23-17-6-2-1-5-16(17)20-19(23)25/h1-7,10,15H,8-9,11-14H2,(H,20,25)
InChIKeyUCYJQHLDEQRRRO-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.83
Rot. Bonds4

About 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 166626309) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID166626309
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1ccccn1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H22N4O2/c24-18-7-3-4-10-22(18)14-13-21-11-8-15(9-12-21)23-17-6-2-1-5-16(17)20-19(23)25/h1-7,10,15H,8-9,11-14H2,(H,20,25)
InChIKeyUCYJQHLDEQRRRO-UHFFFAOYSA-N
XLogP1.83
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 166626309) is 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1ccccn1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is UCYJQHLDEQRRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-7-3-4-10-22(18)14-13-21-11-8-15(9-12-21)23-17-6-2-1-5-16(17)20-19(23)25/h1-7,10,15H,8-9,11-14H2,(H,20,25).
What are the key properties of 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 166626309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).