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

C18H26N4O3 — CID 137342359

IUPAC1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol
SMILESCCCOc1ccccc1-c1nnc(NCC2(O)CCN(C)CC2)o1
InChIInChI=1S/C18H26N4O3/c1-3-12-24-15-7-5-4-6-14(15)16-20-21-17(25-16)19-13-18(23)8-10-22(2)11-9-18/h4-7,23H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyTVQNKRLLIMEYHS-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.39
Rot. Bonds7

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

1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol (PubChem CID 137342359) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol
PubChem CID137342359
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol
SMILESCCCOc1ccccc1-c1nnc(NCC2(O)CCN(C)CC2)o1
InChIInChI=1S/C18H26N4O3/c1-3-12-24-15-7-5-4-6-14(15)16-20-21-17(25-16)19-13-18(23)8-10-22(2)11-9-18/h4-7,23H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyTVQNKRLLIMEYHS-UHFFFAOYSA-N
XLogP2.39
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-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 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol (CID 137342359) is 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol is CCCOc1ccccc1-c1nnc(NCC2(O)CCN(C)CC2)o1.
What is the InChIKey of 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol?
The InChIKey is TVQNKRLLIMEYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-12-24-15-7-5-4-6-14(15)16-20-21-17(25-16)19-13-18(23)8-10-22(2)11-9-18/h4-7,23H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol?
1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol has a molecular weight of 346.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]methyl]piperidin-4-ol is sourced from PubChem (CID 137342359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).