N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C24H36N4O3 — CID 55950899

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC2CCN(C(=O)C(CC)CC)CC2)c2ccccc21
InChIInChI=1S/C24H36N4O3/c1-4-14-27-20-9-7-8-10-21(20)28(24(27)31)17-13-22(29)25-19-11-15-26(16-12-19)23(30)18(5-2)6-3/h7-10,18-19H,4-6,11-17H2,1-3H3,(H,25,29)
InChIKeyJHGZCZULPUZVRF-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.15
Rot. Bonds9

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 55950899) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID55950899
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC2CCN(C(=O)C(CC)CC)CC2)c2ccccc21
InChIInChI=1S/C24H36N4O3/c1-4-14-27-20-9-7-8-10-21(20)28(24(27)31)17-13-22(29)25-19-11-15-26(16-12-19)23(30)18(5-2)6-3/h7-10,18-19H,4-6,11-17H2,1-3H3,(H,25,29)
InChIKeyJHGZCZULPUZVRF-UHFFFAOYSA-N
XLogP3.15
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
N-(1-methylsulfonylpiperidin-4-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 39999738
N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 55949747
N'-(2-cyanoethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-N'-phenylbutanediamide
CID 56577805
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035376
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451933

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 55950899) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NC2CCN(C(=O)C(CC)CC)CC2)c2ccccc21.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is JHGZCZULPUZVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-4-14-27-20-9-7-8-10-21(20)28(24(27)31)17-13-22(29)25-19-11-15-26(16-12-19)23(30)18(5-2)6-3/h7-10,18-19H,4-6,11-17H2,1-3H3,(H,25,29).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 428.58 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 55950899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).