(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide

C20H28N4O2 — CID 94801111

IUPAC(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c(C)c1
InChIInChI=1S/C20H28N4O2/c1-13-10-14(2)18(15(3)11-13)7-8-21-20(25)24-9-5-6-17(12-24)19-22-16(4)23-26-19/h10-11,17H,5-9,12H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyOEHKGUINWUTPCW-QGZVFWFLSA-N
MW356.47 g/mol
LogP3.43
Rot. Bonds4

About (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 94801111) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID94801111
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c(C)c1
InChIInChI=1S/C20H28N4O2/c1-13-10-14(2)18(15(3)11-13)7-8-21-20(25)24-9-5-6-17(12-24)19-22-16(4)23-26-19/h10-11,17H,5-9,12H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyOEHKGUINWUTPCW-QGZVFWFLSA-N
XLogP3.43
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
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
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887441
N-(cyclohex-3-en-1-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49128178
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887439
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 52530117
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidine-1-carboxamide
CID 146125380
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 119046043
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49122092
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide (CID 94801111) is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide is Cc1cc(C)c(CCNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c(C)c1.
What is the InChIKey of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is OEHKGUINWUTPCW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-10-14(2)18(15(3)11-13)7-8-21-20(25)24-9-5-6-17(12-24)19-22-16(4)23-26-19/h10-11,17H,5-9,12H2,1-4H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.43, 4 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-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 94801111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).