1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one

C16H22N4O — CID 134306163

IUPAC1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2CC2CCNCC2)cn(C)c1=O
InChIInChI=1S/C16H22N4O/c1-12-9-14(11-19(2)16(12)21)15-18-7-8-20(15)10-13-3-5-17-6-4-13/h7-9,11,13,17H,3-6,10H2,1-2H3
InChIKeyXUMDACVGYMZGMB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.56
Rot. Bonds3

About 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one

1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one (PubChem CID 134306163) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one
PubChem CID134306163
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one
SMILESCc1cc(-c2nccn2CC2CCNCC2)cn(C)c1=O
InChIInChI=1S/C16H22N4O/c1-12-9-14(11-19(2)16(12)21)15-18-7-8-20(15)10-13-3-5-17-6-4-13/h7-9,11,13,17H,3-6,10H2,1-2H3
InChIKeyXUMDACVGYMZGMB-UHFFFAOYSA-N
XLogP1.56
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one (CID 134306163) is 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one is Cc1cc(-c2nccn2CC2CCNCC2)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
The InChIKey is XUMDACVGYMZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-9-14(11-19(2)16(12)21)15-18-7-8-20(15)10-13-3-5-17-6-4-13/h7-9,11,13,17H,3-6,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one?
1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 134306163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).