1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide

C15H19FN2O2 — CID 103820449

IUPAC1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C15H19FN2O2/c1-10-8-12(16)5-6-13(10)15(20)18-7-3-4-11(9-18)14(19)17-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyVNUKQXQDGMKCDD-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.73
Rot. Bonds2

About 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide

1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103820449) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103820449
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C15H19FN2O2/c1-10-8-12(16)5-6-13(10)15(20)18-7-3-4-11(9-18)14(19)17-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyVNUKQXQDGMKCDD-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 97260094
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91795304
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide (CID 103820449) is 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2ccc(F)cc2C)C1.
What is the InChIKey of 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is VNUKQXQDGMKCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10-8-12(16)5-6-13(10)15(20)18-7-3-4-11(9-18)14(19)17-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide?
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103820449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).