[(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol

C15H25N3O3 — CID 97148320

IUPAC[(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCC[C@@]1(CO)CCCN(c2noc(C3CC3)n2)C1
InChIInChI=1S/C15H25N3O3/c1-20-9-3-7-15(11-19)6-2-8-18(10-15)14-16-13(21-17-14)12-4-5-12/h12,19H,2-11H2,1H3/t15-/m0/s1
InChIKeyQJCJWJBUWWAOHO-HNNXBMFYSA-N
MW295.38 g/mol
LogP1.95
Rot. Bonds7

About [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol

[(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol (PubChem CID 97148320) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
PubChem CID97148320
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name[(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCC[C@@]1(CO)CCCN(c2noc(C3CC3)n2)C1
InChIInChI=1S/C15H25N3O3/c1-20-9-3-7-15(11-19)6-2-8-18(10-15)14-16-13(21-17-14)12-4-5-12/h12,19H,2-11H2,1H3/t15-/m0/s1
InChIKeyQJCJWJBUWWAOHO-HNNXBMFYSA-N
XLogP1.95
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 72845226
[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
[(3R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97113085
3-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]propanoic acid
CID 97125742
[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 72940800
5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96999620
[(3R)-3-(3-methoxypropyl)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methanol
CID 97150707
1-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97153059
[(3S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97151128
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 72932601
5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole
CID 122557437
[(3R)-1-(azepan-1-ylsulfonyl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97142125

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol (CID 97148320) is [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol is COCCC[C@@]1(CO)CCCN(c2noc(C3CC3)n2)C1.
What is the InChIKey of [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The InChIKey is QJCJWJBUWWAOHO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-20-9-3-7-15(11-19)6-2-8-18(10-15)14-16-13(21-17-14)12-4-5-12/h12,19H,2-11H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol?
[(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol has a molecular weight of 295.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(3-methoxypropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97148320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).