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

C17H22N4O2 — CID 3675967

IUPACN-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCCC1c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H22N4O2/c1-3-18-17(22)21-10-5-4-9-14(21)16-19-15(20-23-16)13-8-6-7-12(2)11-13/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,18,22)
InChIKeyMJFNWAWXNWVZNV-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.30
Rot. Bonds3

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

N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 3675967) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID3675967
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCCC1c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H22N4O2/c1-3-18-17(22)21-10-5-4-9-14(21)16-19-15(20-23-16)13-8-6-7-12(2)11-13/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,18,22)
InChIKeyMJFNWAWXNWVZNV-UHFFFAOYSA-N
XLogP3.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760781
1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760304
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
N-butan-2-yl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206204
(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 95116695
(2R)-N-(3-methoxypropyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116692
N-(3-methoxypropyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206212
(2R)-N-(4-ethoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7216464
(2S)-N-(4-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7493268
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 3675967) is N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is CCNC(=O)N1CCCCC1c1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is MJFNWAWXNWVZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-18-17(22)21-10-5-4-9-14(21)16-19-15(20-23-16)13-8-6-7-12(2)11-13/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 3675967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).