(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide

C17H21F3N2O3 — CID 52539875

IUPAC(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C17H21F3N2O3/c1-21(2)16(24)13-4-3-9-22(11-13)15(23)10-12-5-7-14(8-6-12)25-17(18,19)20/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m1/s1
InChIKeyROVPJBNIRJUDIE-CYBMUJFWSA-N
MW358.36 g/mol
LogP2.45
Rot. Bonds4

About (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide

(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide (PubChem CID 52539875) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
PubChem CID52539875
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C17H21F3N2O3/c1-21(2)16(24)13-4-3-9-22(11-13)15(23)10-12-5-7-14(8-6-12)25-17(18,19)20/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m1/s1
InChIKeyROVPJBNIRJUDIE-CYBMUJFWSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 86869704
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
tert-butyl-[(3S)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]carbamic acid
CID 67443015
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
1-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252988
(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 51937754
1-[3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55910800
(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 124699963
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
CID 77041744

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide (CID 52539875) is (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide is CN(C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
The InChIKey is ROVPJBNIRJUDIE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-21(2)16(24)13-4-3-9-22(11-13)15(23)10-12-5-7-14(8-6-12)25-17(18,19)20/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 52539875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).