N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C15H19F3N2O — CID 114908798

IUPACN-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1cccc(N(C)C(=O)C2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C15H19F3N2O/c1-10-4-3-5-12(8-10)20(2)14(21)13-7-6-11(9-19-13)15(16,17)18/h3-5,8,11,13,19H,6-7,9H2,1-2H3
InChIKeyXCKYAPYWXOWLNB-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.89
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908798) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908798
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1cccc(N(C)C(=O)C2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C15H19F3N2O/c1-10-4-3-5-12(8-10)20(2)14(21)13-7-6-11(9-19-13)15(16,17)18/h3-5,8,11,13,19H,6-7,9H2,1-2H3
InChIKeyXCKYAPYWXOWLNB-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908798) is N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide is Cc1cccc(N(C)C(=O)C2CCC(C(F)(F)F)CN2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is XCKYAPYWXOWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-4-3-5-12(8-10)20(2)14(21)13-7-6-11(9-19-13)15(16,17)18/h3-5,8,11,13,19H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).