3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol

C15H25N3O2 — CID 25385068

IUPAC3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
SMILESOCCC[C@H]1CCCN(Cc2nc(CC3CC3)no2)C1
InChIInChI=1S/C15H25N3O2/c19-8-2-4-13-3-1-7-18(10-13)11-15-16-14(17-20-15)9-12-5-6-12/h12-13,19H,1-11H2/t13-/m1/s1
InChIKeyABKBYVMQYWBGMX-CYBMUJFWSA-N
MW279.38 g/mol
LogP2.01
Rot. Bonds7

About 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol

3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol (PubChem CID 25385068) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
PubChem CID25385068
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol
SMILESOCCC[C@H]1CCCN(Cc2nc(CC3CC3)no2)C1
InChIInChI=1S/C15H25N3O2/c19-8-2-4-13-3-1-7-18(10-13)11-15-16-14(17-20-15)9-12-5-6-12/h12-13,19H,1-11H2/t13-/m1/s1
InChIKeyABKBYVMQYWBGMX-CYBMUJFWSA-N
XLogP2.01
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol (CID 25385068) is 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol is OCCC[C@H]1CCCN(Cc2nc(CC3CC3)no2)C1.
What is the InChIKey of 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol?
The InChIKey is ABKBYVMQYWBGMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-8-2-4-13-3-1-7-18(10-13)11-15-16-14(17-20-15)9-12-5-6-12/h12-13,19H,1-11H2/t13-/m1/s1.
What are the key properties of 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol?
3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 25385068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).