1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one

C18H23N3O3 — CID 99964095

IUPAC1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(-c2nnc([C@H]3CCCN(C(=O)C(C)C)C3)o2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)18(22)21-10-4-5-14(11-21)17-20-19-16(24-17)13-6-8-15(23-3)9-7-13/h6-9,12,14H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyHBRAERLVKNFMJQ-AWEZNQCLSA-N
MW329.40 g/mol
LogP3.11
Rot. Bonds4

About 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 99964095) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID99964095
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(-c2nnc([C@H]3CCCN(C(=O)C(C)C)C3)o2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)18(22)21-10-4-5-14(11-21)17-20-19-16(24-17)13-6-8-15(23-3)9-7-13/h6-9,12,14H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyHBRAERLVKNFMJQ-AWEZNQCLSA-N
XLogP3.11
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
cyclopropyl-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99964099
[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99963924
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 121069773
2-methyl-1-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895985
1-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964051
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963730
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121069343

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 99964095) is 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one is COc1ccc(-c2nnc([C@H]3CCCN(C(=O)C(C)C)C3)o2)cc1.
What is the InChIKey of 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is HBRAERLVKNFMJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)18(22)21-10-4-5-14(11-21)17-20-19-16(24-17)13-6-8-15(23-3)9-7-13/h6-9,12,14H,4-5,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 329.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 99964095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).