(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

C26H25FN2O2 — CID 92575766

IUPAC(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C26H25FN2O2/c27-22-12-6-11-20(16-22)24(30)29-15-7-14-26(18-29,25(28)31)17-21-10-4-5-13-23(21)19-8-2-1-3-9-19/h1-6,8-13,16H,7,14-15,17-18H2,(H2,28,31)/t26-/m0/s1
InChIKeyNBDYBAHESJYCSL-SANMLTNESA-N
MW416.50 g/mol
LogP4.44
Rot. Bonds5

About (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92575766) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92575766
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC Name(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C26H25FN2O2/c27-22-12-6-11-20(16-22)24(30)29-15-7-14-26(18-29,25(28)31)17-21-10-4-5-13-23(21)19-8-2-1-3-9-19/h1-6,8-13,16H,7,14-15,17-18H2,(H2,28,31)/t26-/m0/s1
InChIKeyNBDYBAHESJYCSL-SANMLTNESA-N
XLogP4.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620740
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
(3S)-N-ethyl-1-(3-fluorobenzoyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592056
1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909
(3S)-1-(3-methoxybenzoyl)-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92599380
(3S)-1-(3-fluorobenzoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92605392
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110245977
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331
(3R)-1-(3-fluorobenzoyl)-N,N-dimethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855491

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (CID 92575766) is (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NBDYBAHESJYCSL-SANMLTNESA-N. The full InChI is InChI=1S/C26H25FN2O2/c27-22-12-6-11-20(16-22)24(30)29-15-7-14-26(18-29,25(28)31)17-21-10-4-5-13-23(21)19-8-2-1-3-9-19/h1-6,8-13,16H,7,14-15,17-18H2,(H2,28,31)/t26-/m0/s1.
What are the key properties of (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92575766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).