N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide

C14H15FN2O2 — CID 167598077

IUPACN-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
SMILESC=C1CCC(C(=O)N(C)c2ccccc2F)C(=O)N1
InChIInChI=1S/C14H15FN2O2/c1-9-7-8-10(13(18)16-9)14(19)17(2)12-6-4-3-5-11(12)15/h3-6,10H,1,7-8H2,2H3,(H,16,18)
InChIKeyIATQCJLRGDZBHY-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.83
Rot. Bonds2

About N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide

N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide (PubChem CID 167598077) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
PubChem CID167598077
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
SMILESC=C1CCC(C(=O)N(C)c2ccccc2F)C(=O)N1
InChIInChI=1S/C14H15FN2O2/c1-9-7-8-10(13(18)16-9)14(19)17(2)12-6-4-3-5-11(12)15/h3-6,10H,1,7-8H2,2H3,(H,16,18)
InChIKeyIATQCJLRGDZBHY-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 78917930
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
N-(2-fluorophenyl)-N,4-dimethylpiperidine-2-carboxamide
CID 114423883
N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468787
3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
CID 138460839
5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide
CID 167641897
N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027766
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
3-cyclopropyl-1-(2-fluorophenyl)-1-methylthiourea
CID 116508220
N-(2-fluorophenyl)-N-methyl-3-piperidin-4-yloxypropanamide
CID 63905455
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816362

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide (CID 167598077) is N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide is C=C1CCC(C(=O)N(C)c2ccccc2F)C(=O)N1.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
The InChIKey is IATQCJLRGDZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-7-8-10(13(18)16-9)14(19)17(2)12-6-4-3-5-11(12)15/h3-6,10H,1,7-8H2,2H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 167598077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).