N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C21H24N4O3 — CID 55973881

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H24N4O3/c26-20(17-9-3-4-13-25(17)21(27)18-10-6-14-28-18)22-12-5-11-19-23-15-7-1-2-8-16(15)24-19/h1-2,6-8,10,14,17H,3-5,9,11-13H2,(H,22,26)(H,23,24)
InChIKeyIARLTOKVZYOJEL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 55973881) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID55973881
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H24N4O3/c26-20(17-9-3-4-13-25(17)21(27)18-10-6-14-28-18)22-12-5-11-19-23-15-7-1-2-8-16(15)24-19/h1-2,6-8,10,14,17H,3-5,9,11-13H2,(H,22,26)(H,23,24)
InChIKeyIARLTOKVZYOJEL-UHFFFAOYSA-N
XLogP2.90
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
CID 55966453
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699
N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N-[2-(2,3-dichlorophenyl)ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55799184
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55965791
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 55973881) is N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is O=C(NCCCc1nc2ccccc2[nH]1)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is IARLTOKVZYOJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(17-9-3-4-13-25(17)21(27)18-10-6-14-28-18)22-12-5-11-19-23-15-7-1-2-8-16(15)24-19/h1-2,6-8,10,14,17H,3-5,9,11-13H2,(H,22,26)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55973881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).