N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide

C22H25FN4O — CID 16675649

IUPACN-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NCCc3cccc(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H25FN4O/c1-26-20-8-3-2-7-19(20)25-22(26)27-13-10-17(11-14-27)21(28)24-12-9-16-5-4-6-18(23)15-16/h2-8,15,17H,9-14H2,1H3,(H,24,28)
InChIKeyAPEREXXDKJGPIH-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide

N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 16675649) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID16675649
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCn1c(N2CCC(C(=O)NCCc3cccc(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H25FN4O/c1-26-20-8-3-2-7-19(20)25-22(26)27-13-10-17(11-14-27)21(28)24-12-9-16-5-4-6-18(23)15-16/h2-8,15,17H,9-14H2,1H3,(H,24,28)
InChIKeyAPEREXXDKJGPIH-UHFFFAOYSA-N
XLogP3.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16669104
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20886844
N-[2-(N-ethylanilino)ethyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882940
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886832
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 46261056
N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887026
N-(2,4-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887087
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 16675649) is N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide is Cn1c(N2CCC(C(=O)NCCc3cccc(F)c3)CC2)nc2ccccc21.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is APEREXXDKJGPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-26-20-8-3-2-7-19(20)25-22(26)27-13-10-17(11-14-27)21(28)24-12-9-16-5-4-6-18(23)15-16/h2-8,15,17H,9-14H2,1H3,(H,24,28).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 16675649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).