N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride

C19H29ClN4O2 — CID 120554902

IUPACN-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
SMILESCCCn1c(=O)n(CCC(=O)NC2CCNCC2C)c2ccccc21.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-3-11-22-16-6-4-5-7-17(16)23(19(22)25)12-9-18(24)21-15-8-10-20-13-14(15)2;/h4-7,14-15,20H,3,8-13H2,1-2H3,(H,21,24);1H
InChIKeyJTYPQGACTNPPRY-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.14
Rot. Bonds6

About N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride

N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride (PubChem CID 120554902) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
PubChem CID120554902
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
SMILESCCCn1c(=O)n(CCC(=O)NC2CCNCC2C)c2ccccc21.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-3-11-22-16-6-4-5-7-17(16)23(19(22)25)12-9-18(24)21-15-8-10-20-13-14(15)2;/h4-7,14-15,20H,3,8-13H2,1-2H3,(H,21,24);1H
InChIKeyJTYPQGACTNPPRY-UHFFFAOYSA-N
XLogP2.14
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120557615
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-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119556281
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
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
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 167862287
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride (CID 120554902) is N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride is CCCn1c(=O)n(CCC(=O)NC2CCNCC2C)c2ccccc21.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
The InChIKey is JTYPQGACTNPPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-3-11-22-16-6-4-5-7-17(16)23(19(22)25)12-9-18(24)21-15-8-10-20-13-14(15)2;/h4-7,14-15,20H,3,8-13H2,1-2H3,(H,21,24);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 120554902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).