[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone

C16H18N4O2 — CID 72881765

IUPAC[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)C1CCCN(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C16H18N4O2/c21-14(12-3-1-7-17-9-12)13-4-2-8-20(10-13)16-19-18-15(22-16)11-5-6-11/h1,3,7,9,11,13H,2,4-6,8,10H2
InChIKeyHBCSTTRJYIOCAO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.44
Rot. Bonds4

About [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone

[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone (PubChem CID 72881765) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone
PubChem CID72881765
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)C1CCCN(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C16H18N4O2/c21-14(12-3-1-7-17-9-12)13-4-2-8-20(10-13)16-19-18-15(22-16)11-5-6-11/h1,3,7,9,11,13H,2,4-6,8,10H2
InChIKeyHBCSTTRJYIOCAO-UHFFFAOYSA-N
XLogP2.44
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone (CID 72881765) is [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)C1CCCN(c2nnc(C3CC3)o2)C1.
What is the InChIKey of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is HBCSTTRJYIOCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-14(12-3-1-7-17-9-12)13-4-2-8-20(10-13)16-19-18-15(22-16)11-5-6-11/h1,3,7,9,11,13H,2,4-6,8,10H2.
What are the key properties of [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone?
[1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 298.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 72881765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).