(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone

C17H21N3O3 — CID 110391726

IUPAC(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C17H21N3O3/c1-3-12-8-6-7-11-20(12)17(21)16-19-18-15(23-16)13-9-4-5-10-14(13)22-2/h4-5,9-10,12H,3,6-8,11H2,1-2H3
InChIKeySNFOAPWDSDHDGL-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.15
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone

(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 110391726) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID110391726
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCCC1CCCCN1C(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C17H21N3O3/c1-3-12-8-6-7-11-20(12)17(21)16-19-18-15(23-16)13-9-4-5-10-14(13)22-2/h4-5,9-10,12H,3,6-8,11H2,1-2H3
InChIKeySNFOAPWDSDHDGL-UHFFFAOYSA-N
XLogP3.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 2034209
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110391727
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 42918665
(2-ethylpiperidin-1-yl)-[2-[(2-methoxyphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257901
3-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055463
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
CID 113173184
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 866853
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(2-ethylpiperidin-1-yl)-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45230539
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone (CID 110391726) is (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone is CCC1CCCCN1C(=O)c1nnc(-c2ccccc2OC)o1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is SNFOAPWDSDHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-12-8-6-7-11-20(12)17(21)16-19-18-15(23-16)13-9-4-5-10-14(13)22-2/h4-5,9-10,12H,3,6-8,11H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
(2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 315.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 110391726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).