N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

C17H23F3N2O — CID 56898374

IUPACN,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-21(2)16(23)22-11-5-6-13(12-22)9-10-14-7-3-4-8-15(14)17(18,19)20/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyYLYMHXKJDCESPU-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.03
Rot. Bonds3

About N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 56898374) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID56898374
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-21(2)16(23)22-11-5-6-13(12-22)9-10-14-7-3-4-8-15(14)17(18,19)20/h3-4,7-8,13H,5-6,9-12H2,1-2H3
InChIKeyYLYMHXKJDCESPU-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Amperozide
CID 73333
Amperozide Hydrochloride
CID 73334
4-benzyl-N-propylpiperidine-1-carboxamide
CID 6469905
1-Piperidinecarboxamide, 4-phenyl-
CID 204539
1-Piperidinecarboxamide, 4-benzyl-
CID 207956
(4-Benzylpiperidin-1-yl)(4-isopropylpiperazin-1-yl)methanone
CID 44418489
(4-Isopropylpiperazin-1-yl)(4-phenylpiperidin-1-yl)methanone
CID 44418498
N-methyl-4-phenyl-N-(2-(piperidin-1-yl)ethyl)piperidine-1-carboxamide
CID 44579389
4-benzyl-N-methyl-N-(2-(piperidin-1-yl)ethyl)piperidine-1-carboxamide
CID 44579428
1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 897795
N,N,7,8-tetramethyl-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CID 24901542
4-Benzyl-N-methylpiperidine-1-carboxamide
CID 10657233

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 56898374) is N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is YLYMHXKJDCESPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-21(2)16(23)22-11-5-6-13(12-22)9-10-14-7-3-4-8-15(14)17(18,19)20/h3-4,7-8,13H,5-6,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 56898374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).