1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C25H24FN3O2 — CID 92620740

IUPAC1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H24FN3O2/c26-21-6-3-5-19(16-21)23(30)29-14-10-25(11-15-29,24(27)31)17-20-4-1-2-7-22(20)18-8-12-28-13-9-18/h1-9,12-13,16H,10-11,14-15,17H2,(H2,27,31)
InChIKeyONLXRAVASSKVAZ-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 92620740) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID92620740
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H24FN3O2/c26-21-6-3-5-19(16-21)23(30)29-14-10-25(11-15-29,24(27)31)17-20-4-1-2-7-22(20)18-8-12-28-13-9-18/h1-9,12-13,16H,10-11,14-15,17H2,(H2,27,31)
InChIKeyONLXRAVASSKVAZ-UHFFFAOYSA-N
XLogP3.84
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92575766
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083470
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909
1-(2-phenoxyacetyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360841
1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
(3S)-1-(3-fluorobenzoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92605392
(3R)-1-[2-(4-methoxyphenyl)acetyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92595440
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550
(3S)-N-ethyl-1-(3-fluorobenzoyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592056
(3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 92596157

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 92620740) is 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is NC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ONLXRAVASSKVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-21-6-3-5-19(16-21)23(30)29-14-10-25(11-15-29,24(27)31)17-20-4-1-2-7-22(20)18-8-12-28-13-9-18/h1-9,12-13,16H,10-11,14-15,17H2,(H2,27,31).
What are the key properties of 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92620740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).