1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

C18H23N3O2 — CID 99963272

IUPAC1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1
InChIInChI=1S/C18H23N3O2/c1-3-6-16(22)21-11-9-14(10-12-21)17-19-20-18(23-17)15-8-5-4-7-13(15)2/h4-5,7-8,14H,3,6,9-12H2,1-2H3
InChIKeyAATDRIBRVYXJNZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.55
Rot. Bonds4

About 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 99963272) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID99963272
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1
InChIInChI=1S/C18H23N3O2/c1-3-6-16(22)21-11-9-14(10-12-21)17-19-20-18(23-17)15-8-5-4-7-13(15)2/h4-5,7-8,14H,3,6,9-12H2,1-2H3
InChIKeyAATDRIBRVYXJNZ-UHFFFAOYSA-N
XLogP3.55
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963379
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 53134222
2-[4-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 90543234
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
(2-methylphenyl)-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92561751
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
1-[4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 159726527
2-methoxy-1-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 51137734
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (CID 99963272) is 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1.
What is the InChIKey of 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is AATDRIBRVYXJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-6-16(22)21-11-9-14(10-12-21)17-19-20-18(23-17)15-8-5-4-7-13(15)2/h4-5,7-8,14H,3,6,9-12H2,1-2H3.
What are the key properties of 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 313.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 99963272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).