1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

C19H16F4N2O2 — CID 24534971

IUPAC1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F4N2O2/c20-13-5-3-11(4-6-13)19(27)25-9-1-2-12(10-25)18(26)24-15-8-7-14(21)16(22)17(15)23/h3-8,12H,1-2,9-10H2,(H,24,26)
InChIKeyQWBRPUSVUUMQTC-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.73
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (PubChem CID 24534971) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
PubChem CID24534971
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC Name1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F4N2O2/c20-13-5-3-11(4-6-13)19(27)25-9-1-2-12(10-25)18(26)24-15-8-7-14(21)16(22)17(15)23/h3-8,12H,1-2,9-10H2,(H,24,26)
InChIKeyQWBRPUSVUUMQTC-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(1-benzyl-6-oxopyridine-3-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 16865946
(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92664975
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109044714
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide (CID 24534971) is 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
The InChIKey is QWBRPUSVUUMQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2/c20-13-5-3-11(4-6-13)19(27)25-9-1-2-12(10-25)18(26)24-15-8-7-14(21)16(22)17(15)23/h3-8,12H,1-2,9-10H2,(H,24,26).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide has a molecular weight of 380.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24534971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).