1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

C25H22F3N3O3 — CID 16865946

IUPAC1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)c2)C1
InChIInChI=1S/C25H22F3N3O3/c26-19-9-10-20(23(28)22(19)27)29-24(33)17-7-4-12-30(14-17)25(34)18-8-11-21(32)31(15-18)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,15,17H,4,7,12-14H2,(H,29,33)
InChIKeyZVLDYFRQINEMJD-UHFFFAOYSA-N
MW469.46 g/mol
LogP3.80
Rot. Bonds5

About 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (PubChem CID 16865946) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
PubChem CID16865946
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)c2)C1
InChIInChI=1S/C25H22F3N3O3/c26-19-9-10-20(23(28)22(19)27)29-24(33)17-7-4-12-30(14-17)25(34)18-8-11-21(32)31(15-18)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,15,17H,4,7,12-14H2,(H,29,33)
InChIKeyZVLDYFRQINEMJD-UHFFFAOYSA-N
XLogP3.80
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 2161170
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
(3R)-1-(benzenesulfonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550001
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 43925035
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 8697162
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (CID 16865946) is 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)c2)C1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The InChIKey is ZVLDYFRQINEMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c26-19-9-10-20(23(28)22(19)27)29-24(33)17-7-4-12-30(14-17)25(34)18-8-11-21(32)31(15-18)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,15,17H,4,7,12-14H2,(H,29,33).
What are the key properties of 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide has a molecular weight of 469.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 16865946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).