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

C17H22N4O3 — CID 110393038

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C17H22N4O3/c1-12(2)15-18-19-16(24-15)17(22)21-10-8-20(9-11-21)13-6-4-5-7-14(13)23-3/h4-7,12H,8-11H2,1-3H3
InChIKeyAXJSQLMJRRJBNU-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.16
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 110393038) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID110393038
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nnc(C(C)C)o2)CC1
InChIInChI=1S/C17H22N4O3/c1-12(2)15-18-19-16(24-15)17(22)21-10-8-20(9-11-21)13-6-4-5-7-14(13)23-3/h4-7,12H,8-11H2,1-3H3
InChIKeyAXJSQLMJRRJBNU-UHFFFAOYSA-N
XLogP2.16
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110385204
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543
5-methoxy-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyran-4-one
CID 27378207
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2741374
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396633
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 110393038) is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is COc1ccccc1N1CCN(C(=O)c2nnc(C(C)C)o2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is AXJSQLMJRRJBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(2)15-18-19-16(24-15)17(22)21-10-8-20(9-11-21)13-6-4-5-7-14(13)23-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 110393038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).