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

C19H28N4O2 — CID 119824718

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1c(=O)n(C)c2ccccc21)C1CCNCC1
InChIInChI=1S/C19H28N4O2/c1-3-13-22(15-8-11-20-12-9-15)18(24)10-14-23-17-7-5-4-6-16(17)21(2)19(23)25/h4-7,15,20H,3,8-14H2,1-2H3
InChIKeyQTHPMXDXRWRNHF-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.72
Rot. Bonds6

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

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119824718) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119824718
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCn1c(=O)n(C)c2ccccc21)C1CCNCC1
InChIInChI=1S/C19H28N4O2/c1-3-13-22(15-8-11-20-12-9-15)18(24)10-14-23-17-7-5-4-6-16(17)21(2)19(23)25/h4-7,15,20H,3,8-14H2,1-2H3
InChIKeyQTHPMXDXRWRNHF-UHFFFAOYSA-N
XLogP1.72
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylpropanamide
CID 99645243
3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824520
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 126772645
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451933
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55507951
N-piperidin-4-yl-N-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119823231
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532014
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24524450
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
CID 119823684
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide (CID 119824718) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCn1c(=O)n(C)c2ccccc21)C1CCNCC1.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is QTHPMXDXRWRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-13-22(15-8-11-20-12-9-15)18(24)10-14-23-17-7-5-4-6-16(17)21(2)19(23)25/h4-7,15,20H,3,8-14H2,1-2H3.
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 344.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 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-yl-N-propylpropanamide is sourced from PubChem (CID 119824718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).