(4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol

C14H23N3O2 — CID 70737530

IUPAC(4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2nnc(C3CC3)o2)CC[C@]1(C)O
InChIInChI=1S/C14H23N3O2/c1-13(2)9-17(7-6-14(13,3)18)8-11-15-16-12(19-11)10-4-5-10/h10,18H,4-9H2,1-3H3/t14-/m0/s1
InChIKeyJFTODZSPFDJNQO-AWEZNQCLSA-N
MW265.36 g/mol
LogP1.93
Rot. Bonds3

About (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol

(4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol (PubChem CID 70737530) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
PubChem CID70737530
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2nnc(C3CC3)o2)CC[C@]1(C)O
InChIInChI=1S/C14H23N3O2/c1-13(2)9-17(7-6-14(13,3)18)8-11-15-16-12(19-11)10-4-5-10/h10,18H,4-9H2,1-3H3/t14-/m0/s1
InChIKeyJFTODZSPFDJNQO-AWEZNQCLSA-N
XLogP1.93
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol (CID 70737530) is (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol is CC1(C)CN(Cc2nnc(C3CC3)o2)CC[C@]1(C)O.
What is the InChIKey of (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is JFTODZSPFDJNQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-13(2)9-17(7-6-14(13,3)18)8-11-15-16-12(19-11)10-4-5-10/h10,18H,4-9H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 265.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 70737530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).