N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C23H24N4O2 — CID 46642187

IUPACN-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(16-11-13-26(14-12-16)23(29)17-5-6-17)25-18-7-9-19(10-8-18)27-15-24-20-3-1-2-4-21(20)27/h1-4,7-10,15-17H,5-6,11-14H2,(H,25,28)
InChIKeyMWWDJBWSYQUTNW-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.61
Rot. Bonds4

About N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 46642187) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID46642187
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(16-11-13-26(14-12-16)23(29)17-5-6-17)25-18-7-9-19(10-8-18)27-15-24-20-3-1-2-4-21(20)27/h1-4,7-10,15-17H,5-6,11-14H2,(H,25,28)
InChIKeyMWWDJBWSYQUTNW-UHFFFAOYSA-N
XLogP3.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 41491419
tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 56532103
N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24512634
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120797183
N-[4-(benzimidazol-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 60554757
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42883707
(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 126785065
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169
N-[4-(benzimidazol-1-yl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 134011915
1-[2-(2-oxoquinoxalin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462621
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 46642187) is N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is MWWDJBWSYQUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(16-11-13-26(14-12-16)23(29)17-5-6-17)25-18-7-9-19(10-8-18)27-15-24-20-3-1-2-4-21(20)27/h1-4,7-10,15-17H,5-6,11-14H2,(H,25,28).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46642187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).