N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide

C26H32N4O2 — CID 16986136

IUPACN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C26H32N4O2/c31-25(16-15-21-10-3-1-4-11-21)27-17-9-14-24-28-22-12-5-6-13-23(22)30(24)20-26(32)29-18-7-2-8-19-29/h1,3-6,10-13H,2,7-9,14-20H2,(H,27,31)
InChIKeyYKPPFYSTYVZQFT-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.73
Rot. Bonds9

About N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide

N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide (PubChem CID 16986136) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
PubChem CID16986136
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C26H32N4O2/c31-25(16-15-21-10-3-1-4-11-21)27-17-9-14-24-28-22-12-5-6-13-23(22)30(24)20-26(32)29-18-7-2-8-19-29/h1,3-6,10-13H,2,7-9,14-20H2,(H,27,31)
InChIKeyYKPPFYSTYVZQFT-UHFFFAOYSA-N
XLogP3.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985650
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985995
N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992654
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
2-(2-chlorophenyl)-N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993786
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966317
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16986040
2-(2,5-dimethylphenoxy)-N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986679
(E)-N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992812

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide (CID 16986136) is N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCCc1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The InChIKey is YKPPFYSTYVZQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-25(16-15-21-10-3-1-4-11-21)27-17-9-14-24-28-22-12-5-6-13-23(22)30(24)20-26(32)29-18-7-2-8-19-29/h1,3-6,10-13H,2,7-9,14-20H2,(H,27,31).
What are the key properties of N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide has a molecular weight of 432.57 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide is sourced from PubChem (CID 16986136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).