1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C22H24F2N2O2 — CID 53117054

IUPAC1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C22H24F2N2O2/c1-15-7-3-4-8-16(15)13-25-21(28)22(2)11-6-12-26(14-22)20(27)19-17(23)9-5-10-18(19)24/h3-5,7-10H,6,11-14H2,1-2H3,(H,25,28)
InChIKeyLOMZXYKRYXMSNN-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.83
Rot. Bonds4

About 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53117054) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53117054
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C22H24F2N2O2/c1-15-7-3-4-8-16(15)13-25-21(28)22(2)11-6-12-26(14-22)20(27)19-17(23)9-5-10-18(19)24/h3-5,7-10H,6,11-14H2,1-2H3,(H,25,28)
InChIKeyLOMZXYKRYXMSNN-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011146
(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 93071270
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117240
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 46943979
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
(3R)-3-methyl-N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95088204
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088208

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 53117054) is 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1(C)CCCN(C(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LOMZXYKRYXMSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-15-7-3-4-8-16(15)13-25-21(28)22(2)11-6-12-26(14-22)20(27)19-17(23)9-5-10-18(19)24/h3-5,7-10H,6,11-14H2,1-2H3,(H,25,28).
What are the key properties of 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53117054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).