(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol

C14H25N3O4 — CID 155494816

IUPAC(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(Cc2nc(COC)no2)CC[C@@H]1O
InChIInChI=1S/C14H25N3O4/c1-3-5-14(10-18)9-17(6-4-11(14)19)7-13-15-12(8-20-2)16-21-13/h11,18-19H,3-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyJUBMTFMTWPCYCS-FZMZJTMJSA-N
MW299.37 g/mol
LogP0.56
Rot. Bonds7

About (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol

(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol (PubChem CID 155494816) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol
PubChem CID155494816
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(Cc2nc(COC)no2)CC[C@@H]1O
InChIInChI=1S/C14H25N3O4/c1-3-5-14(10-18)9-17(6-4-11(14)19)7-13-15-12(8-20-2)16-21-13/h11,18-19H,3-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyJUBMTFMTWPCYCS-FZMZJTMJSA-N
XLogP0.56
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol with MolForge

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Related Compounds

methyl 4-[[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]benzoate
CID 157017257
methyl 2-[[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 155501713
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110017032
2-[[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 155497522
(3S,4R)-4-(hydroxymethyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56884679
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
CID 70715898
[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 97141044
(3aR,6aR)-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599601
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63903585
4-[(4aS,6S,8aR)-8a-(methoxymethyl)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine
CID 133112499

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol (CID 155494816) is (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol is CCC[C@@]1(CO)CN(Cc2nc(COC)no2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol?
The InChIKey is JUBMTFMTWPCYCS-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-5-14(10-18)9-17(6-4-11(14)19)7-13-15-12(8-20-2)16-21-13/h11,18-19H,3-10H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol?
(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol has a molecular weight of 299.37 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol is sourced from PubChem (CID 155494816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).