N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide

C18H22N4O4 — CID 136528859

IUPACN-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)CN3CCCCC3=O)n2)c1
InChIInChI=1S/C18H22N4O4/c1-12(19-15(23)11-22-9-4-3-8-16(22)24)18-20-17(21-26-18)13-6-5-7-14(10-13)25-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,19,23)
InChIKeyVBOCWSJEYYSGRG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.93
Rot. Bonds6

About N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 136528859) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID136528859
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)CN3CCCCC3=O)n2)c1
InChIInChI=1S/C18H22N4O4/c1-12(19-15(23)11-22-9-4-3-8-16(22)24)18-20-17(21-26-18)13-6-5-7-14(10-13)25-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,19,23)
InChIKeyVBOCWSJEYYSGRG-UHFFFAOYSA-N
XLogP1.93
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea
CID 154798020
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 139005445
3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119817254
(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 120796164
1-[2-(3-methoxyphenyl)-2-oxoethyl]azepan-2-one
CID 62025171
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342812
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 83286620
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119817252
N-[(1R)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 97260837

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 136528859) is N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide is COc1cccc(-c2noc(C(C)NC(=O)CN3CCCCC3=O)n2)c1.
What is the InChIKey of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is VBOCWSJEYYSGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12(19-15(23)11-22-9-4-3-8-16(22)24)18-20-17(21-26-18)13-6-5-7-14(10-13)25-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 136528859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).