3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide

C16H22N4O2 — CID 119388164

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
SMILESCn1c(=O)n(CCC(=O)NC2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-19-13-4-2-3-5-14(13)20(16(19)22)11-8-15(21)18-12-6-9-17-10-7-12/h2-5,12,17H,6-11H2,1H3,(H,18,21)
InChIKeyUTYIHGNMEGJPEL-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.60
Rot. Bonds4

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide (PubChem CID 119388164) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
PubChem CID119388164
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
SMILESCn1c(=O)n(CCC(=O)NC2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N4O2/c1-19-13-4-2-3-5-14(13)20(16(19)22)11-8-15(21)18-12-6-9-17-10-7-12/h2-5,12,17H,6-11H2,1H3,(H,18,21)
InChIKeyUTYIHGNMEGJPEL-UHFFFAOYSA-N
XLogP0.60
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451933
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120557615
N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 167862287
N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18145024
N-(2-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18138324
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824718
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55950899
N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 120554902
2-(9-oxoacridin-10-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387578
N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 119615322
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 17436988

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide (CID 119388164) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide is Cn1c(=O)n(CCC(=O)NC2CCNCC2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide?
The InChIKey is UTYIHGNMEGJPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-13-4-2-3-5-14(13)20(16(19)22)11-8-15(21)18-12-6-9-17-10-7-12/h2-5,12,17H,6-11H2,1H3,(H,18,21).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide has a molecular weight of 302.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119388164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).