3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol

C16H29N3O2 — CID 45173763

IUPAC3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol
SMILESCCCc1noc(CN2CCC(C(O)CC(C)C)CC2)n1
InChIInChI=1S/C16H29N3O2/c1-4-5-15-17-16(21-18-15)11-19-8-6-13(7-9-19)14(20)10-12(2)3/h12-14,20H,4-11H2,1-3H3
InChIKeyATKRELJXCGSLCD-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.64
Rot. Bonds7

About 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol

3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol (PubChem CID 45173763) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol
PubChem CID45173763
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol
SMILESCCCc1noc(CN2CCC(C(O)CC(C)C)CC2)n1
InChIInChI=1S/C16H29N3O2/c1-4-5-15-17-16(21-18-15)11-19-8-6-13(7-9-19)14(20)10-12(2)3/h12-14,20H,4-11H2,1-3H3
InChIKeyATKRELJXCGSLCD-UHFFFAOYSA-N
XLogP2.64
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol?
The IUPAC name of 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol (CID 45173763) is 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol?
The canonical SMILES for 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol is CCCc1noc(CN2CCC(C(O)CC(C)C)CC2)n1.
What is the InChIKey of 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol?
The InChIKey is ATKRELJXCGSLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-5-15-17-16(21-18-15)11-19-8-6-13(7-9-19)14(20)10-12(2)3/h12-14,20H,4-11H2,1-3H3.
What are the key properties of 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol?
3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]butan-1-ol is sourced from PubChem (CID 45173763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).