3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide

C17H24N4O2 — CID 120557615

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H24N4O2/c1-12-11-18-9-7-13(12)19-16(22)8-10-21-15-6-4-3-5-14(15)20(2)17(21)23/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)
InChIKeySRVNJJZIWWSXDE-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.84
Rot. Bonds4

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120557615) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120557615
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H24N4O2/c1-12-11-18-9-7-13(12)19-16(22)8-10-21-15-6-4-3-5-14(15)20(2)17(21)23/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22)
InChIKeySRVNJJZIWWSXDE-UHFFFAOYSA-N
XLogP0.84
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 120554902
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451933
N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18145024
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 167862287
N-(3-methylpiperidin-4-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 120553598
N-(3-methylpiperidin-4-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 120557201
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
N-(2-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18138324
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide (CID 120557615) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide is CC1CNCCC1NC(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is SRVNJJZIWWSXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-11-18-9-7-13(12)19-16(22)8-10-21-15-6-4-3-5-14(15)20(2)17(21)23/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 0.84, 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-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120557615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).