N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C15H19F3N2O — CID 42924539

IUPACN-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H19F3N2O/c1-11-4-6-12(7-5-11)9-19-14(21)20-8-2-3-13(10-20)15(16,17)18/h4-7,13H,2-3,8-10H2,1H3,(H,19,21)
InChIKeyRDJHUTHKMJWLIW-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.48
Rot. Bonds2

About N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 42924539) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID42924539
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H19F3N2O/c1-11-4-6-12(7-5-11)9-19-14(21)20-8-2-3-13(10-20)15(16,17)18/h4-7,13H,2-3,8-10H2,1H3,(H,19,21)
InChIKeyRDJHUTHKMJWLIW-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 42924539) is N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is RDJHUTHKMJWLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-11-4-6-12(7-5-11)9-19-14(21)20-8-2-3-13(10-20)15(16,17)18/h4-7,13H,2-3,8-10H2,1H3,(H,19,21).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 42924539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).