N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide

C20H28N4O2 — CID 72904958

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCCc2nc3ccccc3n2C)C1
InChIInChI=1S/C20H28N4O2/c1-3-19(25)24-13-7-8-15(14-24)20(26)21-12-6-11-18-22-16-9-4-5-10-17(16)23(18)2/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,21,26)
InChIKeyLLQSKURNEZBWAS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.27
Rot. Bonds6

About N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 72904958) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID72904958
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCCCc2nc3ccccc3n2C)C1
InChIInChI=1S/C20H28N4O2/c1-3-19(25)24-13-7-8-15(14-24)20(26)21-12-6-11-18-22-16-9-4-5-10-17(16)23(18)2/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,21,26)
InChIKeyLLQSKURNEZBWAS-UHFFFAOYSA-N
XLogP2.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.27
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

(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576
(3S)-1-(furan-2-ylmethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97282886
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide (CID 72904958) is N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCCCc2nc3ccccc3n2C)C1.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is LLQSKURNEZBWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-19(25)24-13-7-8-15(14-24)20(26)21-12-6-11-18-22-16-9-4-5-10-17(16)23(18)2/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,21,26).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 72904958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).