1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide

C15H19FN2O2 — CID 79777604

IUPAC1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(N)=O)CCC2C)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-9-3-6-12(13(16)7-9)15(20)18-8-11(14(17)19)5-4-10(18)2/h3,6-7,10-11H,4-5,8H2,1-2H3,(H2,17,19)
InChIKeyYNCWVAJCIOEJGF-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.86
Rot. Bonds2

About 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide

1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 79777604) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
PubChem CID79777604
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(N)=O)CCC2C)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-9-3-6-12(13(16)7-9)15(20)18-8-11(14(17)19)5-4-10(18)2/h3,6-7,10-11H,4-5,8H2,1-2H3,(H2,17,19)
InChIKeyYNCWVAJCIOEJGF-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 61292731
1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47415559
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide (CID 79777604) is 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide is Cc1ccc(C(=O)N2CC(C(N)=O)CCC2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is YNCWVAJCIOEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9-3-6-12(13(16)7-9)15(20)18-8-11(14(17)19)5-4-10(18)2/h3,6-7,10-11H,4-5,8H2,1-2H3,(H2,17,19).
What are the key properties of 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide?
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 79777604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).