1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol

C18H24N4O2 — CID 138018641

IUPAC1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3noc(CC4CCCC4)n3)cn2)CC1
InChIInChI=1S/C18H24N4O2/c23-15-7-9-22(10-8-15)16-6-5-14(12-19-16)18-20-17(24-21-18)11-13-3-1-2-4-13/h5-6,12-13,15,23H,1-4,7-11H2
InChIKeyYKDDTFXBVJEGDF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.83
Rot. Bonds4

About 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol

1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol (PubChem CID 138018641) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol
PubChem CID138018641
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3noc(CC4CCCC4)n3)cn2)CC1
InChIInChI=1S/C18H24N4O2/c23-15-7-9-22(10-8-15)16-6-5-14(12-19-16)18-20-17(24-21-18)11-13-3-1-2-4-13/h5-6,12-13,15,23H,1-4,7-11H2
InChIKeyYKDDTFXBVJEGDF-UHFFFAOYSA-N
XLogP2.83
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol (CID 138018641) is 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ccc(-c3noc(CC4CCCC4)n3)cn2)CC1.
What is the InChIKey of 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is YKDDTFXBVJEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-15-7-9-22(10-8-15)16-6-5-14(12-19-16)18-20-17(24-21-18)11-13-3-1-2-4-13/h5-6,12-13,15,23H,1-4,7-11H2.
What are the key properties of 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol?
1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol has a molecular weight of 328.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 138018641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).