3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide

C13H14F4N2O — CID 107641806

IUPAC3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H14F4N2O/c1-6-3-2-4-18-11(6)13(20)19-12-9(16)7(14)5-8(15)10(12)17/h5-6,11,18H,2-4H2,1H3,(H,19,20)
InChIKeyVFGZZUKFLGLQHK-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.57
Rot. Bonds2

About 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide

3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide (PubChem CID 107641806) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
PubChem CID107641806
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H14F4N2O/c1-6-3-2-4-18-11(6)13(20)19-12-9(16)7(14)5-8(15)10(12)17/h5-6,11,18H,2-4H2,1H3,(H,19,20)
InChIKeyVFGZZUKFLGLQHK-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
3-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxamide
CID 102779885
2,4-difluoro-5-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067256
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide (CID 107641806) is 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide?
The InChIKey is VFGZZUKFLGLQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c1-6-3-2-4-18-11(6)13(20)19-12-9(16)7(14)5-8(15)10(12)17/h5-6,11,18H,2-4H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide?
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide has a molecular weight of 290.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 107641806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).