N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C15H19F3N2O — CID 114908570

IUPACN-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(C(F)(F)F)CN2)cc1
InChIInChI=1S/C15H19F3N2O/c1-10-2-4-11(5-3-10)8-20-14(21)13-7-6-12(9-19-13)15(16,17)18/h2-5,12-13,19H,6-9H2,1H3,(H,20,21)
InChIKeyPEKNPWNESUWWIA-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.54
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908570) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908570
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(C(F)(F)F)CN2)cc1
InChIInChI=1S/C15H19F3N2O/c1-10-2-4-11(5-3-10)8-20-14(21)13-7-6-12(9-19-13)15(16,17)18/h2-5,12-13,19H,6-9H2,1H3,(H,20,21)
InChIKeyPEKNPWNESUWWIA-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
Cyclo(-Gly-Phe)
CID 7076549
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
Leucyl-phenylalanine amide
CID 3082491
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908570) is N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCC(C(F)(F)F)CN2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is PEKNPWNESUWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-2-4-11(5-3-10)8-20-14(21)13-7-6-12(9-19-13)15(16,17)18/h2-5,12-13,19H,6-9H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).