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

C17H23F3N2O — CID 49441141

IUPACN-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H23F3N2O/c1-2-9-21-16(23)14-4-3-10-22(12-14)11-13-5-7-15(8-6-13)17(18,19)20/h5-8,14H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyWIKXRDPMOJRTFW-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.44
Rot. Bonds5

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

N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 49441141) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID49441141
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H23F3N2O/c1-2-9-21-16(23)14-4-3-10-22(12-14)11-13-5-7-15(8-6-13)17(18,19)20/h5-8,14H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyWIKXRDPMOJRTFW-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 120837271
1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
CID 43924572
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924034
1-butanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 60527795

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 49441141) is N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CCCNC(=O)C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WIKXRDPMOJRTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-2-9-21-16(23)14-4-3-10-22(12-14)11-13-5-7-15(8-6-13)17(18,19)20/h5-8,14H,2-4,9-12H2,1H3,(H,21,23).
What are the key properties of N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 49441141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).