N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide

C23H25FN4O — CID 95808046

IUPACN-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESC=CCn1c(N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)nc2ccccc21
InChIInChI=1S/C23H25FN4O/c1-3-12-28-21-7-5-4-6-19(21)26-23(28)27-13-10-17(11-14-27)22(29)25-20-15-18(24)9-8-16(20)2/h3-9,15,17H,1,10-14H2,2H3,(H,25,29)
InChIKeyPEYZNNUWPKZBMJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.52
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide

N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 95808046) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID95808046
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESC=CCn1c(N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)nc2ccccc21
InChIInChI=1S/C23H25FN4O/c1-3-12-28-21-7-5-4-6-19(21)26-23(28)27-13-10-17(11-14-27)22(29)25-20-15-18(24)9-8-16(20)2/h3-9,15,17H,1,10-14H2,2H3,(H,25,29)
InChIKeyPEYZNNUWPKZBMJ-UHFFFAOYSA-N
XLogP4.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16669104
N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887026
N-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
N-(2,4-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887087
1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 46106507
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46959605
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 46261056
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
N-(2,5-diethoxyphenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887058
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 95808046) is N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide is C=CCn1c(N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)nc2ccccc21.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is PEYZNNUWPKZBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-3-12-28-21-7-5-4-6-19(21)26-23(28)27-13-10-17(11-14-27)22(29)25-20-15-18(24)9-8-16(20)2/h3-9,15,17H,1,10-14H2,2H3,(H,25,29).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 95808046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).