N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide

C15H19F3N2O3 — CID 119286140

IUPACN-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNCC2)cc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-22-12-3-2-11(8-13(12)23-9-15(16,17)18)20-14(21)10-4-6-19-7-5-10/h2-3,8,10,19H,4-7,9H2,1H3,(H,20,21)
InChIKeyATULXUHMYQDBNA-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.57
Rot. Bonds5

About N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide

N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 119286140) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
PubChem CID119286140
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNCC2)cc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-22-12-3-2-11(8-13(12)23-9-15(16,17)18)20-14(21)10-4-6-19-7-5-10/h2-3,8,10,19H,4-7,9H2,1H3,(H,20,21)
InChIKeyATULXUHMYQDBNA-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
CID 125141478
(2R,3S,5R)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
CID 125141476
methyl 4-(piperidine-4-carbonylamino)-3-(2,2,2-trifluoroethoxy)benzoate;hydrochloride
CID 119314709
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide (CID 119286140) is N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCNCC2)cc1OCC(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is ATULXUHMYQDBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-22-12-3-2-11(8-13(12)23-9-15(16,17)18)20-14(21)10-4-6-19-7-5-10/h2-3,8,10,19H,4-7,9H2,1H3,(H,20,21).
What are the key properties of N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119286140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).