N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C18H25F3N2O — CID 2838111

IUPACN,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-3-23(4-2)17(24)15-9-7-11-22(13-15)12-14-8-5-6-10-16(14)18(19,20)21/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3
InChIKeyDNYWEYLVKVBVOX-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.79
Rot. Bonds5

About N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 2838111) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID2838111
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H25F3N2O/c1-3-23(4-2)17(24)15-9-7-11-22(13-15)12-14-8-5-6-10-16(14)18(19,20)21/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3
InChIKeyDNYWEYLVKVBVOX-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
CID 44433789
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-4-(4-fluoro-2-methylphenyl)-N-methylpyrrolidine-3-carboxamide
CID 44433797
(3S,4R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
CID 44433810
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
1-Benzyl-4-methyl-3-propylpiperidine-2,6-dione
CID 3708751
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
(3R,4R)-1-acetyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 57398780
(3R,4S)-1-acetyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 57398781
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918
2-(Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
CID 615216

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 2838111) is N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is DNYWEYLVKVBVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-3-23(4-2)17(24)15-9-7-11-22(13-15)12-14-8-5-6-10-16(14)18(19,20)21/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 2838111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).