1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C18H21F3N2O2 — CID 24793129

IUPAC1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21F3N2O2/c1-22(10-12-2-5-14(6-3-12)18(19,20)21)17(25)13-4-9-16(24)23(11-13)15-7-8-15/h2-3,5-6,13,15H,4,7-11H2,1H3
InChIKeyPIKFHJNMSVGURB-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.06
Rot. Bonds4

About 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24793129) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24793129
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C18H21F3N2O2/c1-22(10-12-2-5-14(6-3-12)18(19,20)21)17(25)13-4-9-16(24)23(11-13)15-7-8-15/h2-3,5-6,13,15H,4,7-11H2,1H3
InChIKeyPIKFHJNMSVGURB-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
GT-12
CID 164934
Cambridge id 5260289
CID 2838041
N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 2838111
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 2930928
N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142
1-cyclopropyl-N-[2-fluoro-5-(trifluoromethyl)benzyl]-6-oxo-3-piperidinecarboxamide
CID 24791753
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793871
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24793129) is 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PIKFHJNMSVGURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-22(10-12-2-5-14(6-3-12)18(19,20)21)17(25)13-4-9-16(24)23(11-13)15-7-8-15/h2-3,5-6,13,15H,4,7-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).