1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C11H15N3O4 — CID 166301319

IUPAC1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1OCCO1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C11H15N3O4/c15-10(11-16-5-6-17-11)14-3-1-8(2-4-14)9-12-7-18-13-9/h7-8,11H,1-6H2
InChIKeyVDWAQPKNGPUMHY-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.15
Rot. Bonds2

About 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 166301319) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID166301319
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1OCCO1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C11H15N3O4/c15-10(11-16-5-6-17-11)14-3-1-8(2-4-14)9-12-7-18-13-9/h7-8,11H,1-6H2
InChIKeyVDWAQPKNGPUMHY-UHFFFAOYSA-N
XLogP0.15
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
CID 126430247
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97279754
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97279755
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 118779827
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800
2-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112
[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(9R)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl]methanone
CID 126448107
N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
2H-benzotriazol-5-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118789435
(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 126441847

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 166301319) is 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is O=C(C1OCCO1)N1CCC(c2ncon2)CC1.
What is the InChIKey of 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is VDWAQPKNGPUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(11-16-5-6-17-11)14-3-1-8(2-4-14)9-12-7-18-13-9/h7-8,11H,1-6H2.
What are the key properties of 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 253.26 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 166301319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).