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

C20H28N4O3 — CID 119046043

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCCC(c3nc(C)no3)C2)c(C)c1
InChIInChI=1S/C20H28N4O3/c1-4-10-26-18-8-7-16(14(2)11-18)12-21-20(25)24-9-5-6-17(13-24)19-22-15(3)23-27-19/h7-8,11,17H,4-6,9-10,12-13H2,1-3H3,(H,21,25)
InChIKeyKOGRDJSZYODVPM-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.56
Rot. Bonds6

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

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 119046043) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID119046043
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CCCC(c3nc(C)no3)C2)c(C)c1
InChIInChI=1S/C20H28N4O3/c1-4-10-26-18-8-7-16(14(2)11-18)12-21-20(25)24-9-5-6-17(13-24)19-22-15(3)23-27-19/h7-8,11,17H,4-6,9-10,12-13H2,1-3H3,(H,21,25)
InChIKeyKOGRDJSZYODVPM-UHFFFAOYSA-N
XLogP3.56
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 124850892
4-[acetyl(methyl)amino]-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 136535287
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
(2R,6R)-6-methyl-4-N-[(2-methyl-4-propoxyphenyl)methyl]morpholine-2,4-dicarboxamide
CID 125138664
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 52530117
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 94801111
N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 91925427
(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-[(2S)-1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 52515078
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(3-bromo-5-methoxy-4-propoxyphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55884501

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide (CID 119046043) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide is CCCOc1ccc(CNC(=O)N2CCCC(c3nc(C)no3)C2)c(C)c1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is KOGRDJSZYODVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-10-26-18-8-7-16(14(2)11-18)12-21-20(25)24-9-5-6-17(13-24)19-22-15(3)23-27-19/h7-8,11,17H,4-6,9-10,12-13H2,1-3H3,(H,21,25).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 119046043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).