(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

C17H19F3N4O2 — CID 52530117

IUPAC(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCc1noc([C@@H]2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H19F3N4O2/c1-11-22-15(26-23-11)13-3-2-8-24(10-13)16(25)21-9-12-4-6-14(7-5-12)17(18,19)20/h4-7,13H,2-3,8-10H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyQAPZJDHDQTVGCQ-CYBMUJFWSA-N
MW368.36 g/mol
LogP3.49
Rot. Bonds3

About (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 52530117) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID52530117
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCc1noc([C@@H]2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H19F3N4O2/c1-11-22-15(26-23-11)13-3-2-8-24(10-13)16(25)21-9-12-4-6-14(7-5-12)17(18,19)20/h4-7,13H,2-3,8-10H2,1H3,(H,21,25)/t13-/m1/s1
InChIKeyQAPZJDHDQTVGCQ-CYBMUJFWSA-N
XLogP3.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
CID 94800955
(E)-N-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 176734286
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887441
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887439
N-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 146122455
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49122092
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 119046043
N-(cyclohex-3-en-1-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49128178
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 94801111

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 52530117) is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is QAPZJDHDQTVGCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11-22-15(26-23-11)13-3-2-8-24(10-13)16(25)21-9-12-4-6-14(7-5-12)17(18,19)20/h4-7,13H,2-3,8-10H2,1H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 52530117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).