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

C22H25FN4O — CID 16675747

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H25FN4O/c1-26-20-7-3-2-6-19(20)25-22(26)27-14-4-5-17(15-27)21(28)24-13-12-16-8-10-18(23)11-9-16/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,24,28)
InChIKeySYNFTWUARZTPFP-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.29
Rot. Bonds5

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

N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 16675747) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID16675747
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCn1c(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H25FN4O/c1-26-20-7-3-2-6-19(20)25-22(26)27-14-4-5-17(15-27)21(28)24-13-12-16-8-10-18(23)11-9-16/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,24,28)
InChIKeySYNFTWUARZTPFP-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

1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 126470752
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51494599
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53043839
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 16675747) is N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is Cn1c(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)nc2ccccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is SYNFTWUARZTPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-26-20-7-3-2-6-19(20)25-22(26)27-14-4-5-17(15-27)21(28)24-13-12-16-8-10-18(23)11-9-16/h2-3,6-11,17H,4-5,12-15H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-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-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16675747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).