N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H16ClF3N2O2 — CID 110344122

IUPACN-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C15H16ClF3N2O2/c1-9-2-3-11(8-12(9)16)20-13(22)10-4-6-21(7-5-10)14(23)15(17,18)19/h2-3,8,10H,4-7H2,1H3,(H,20,22)
InChIKeyZKQZKMBLSVXFEC-UHFFFAOYSA-N
MW348.75 g/mol
LogP3.39
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110344122) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110344122
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C15H16ClF3N2O2/c1-9-2-3-11(8-12(9)16)20-13(22)10-4-6-21(7-5-10)14(23)15(17,18)19/h2-3,8,10H,4-7H2,1H3,(H,20,22)
InChIKeyZKQZKMBLSVXFEC-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
4-methyl-3-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]benzoic acid
CID 110669217
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344159
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730749

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110344122) is N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is ZKQZKMBLSVXFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c1-9-2-3-11(8-12(9)16)20-13(22)10-4-6-21(7-5-10)14(23)15(17,18)19/h2-3,8,10H,4-7H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 348.75 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110344122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).