3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one

C19H26N4O3 — CID 51126431

IUPAC3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(C)c3nnc(C)o3)CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14(19-21-20-15(2)26-19)22-10-12-23(13-11-22)18(24)9-6-16-4-7-17(25-3)8-5-16/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyZFMDMVNOFLEPLI-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.22
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 51126431) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
PubChem CID51126431
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(C)c3nnc(C)o3)CC2)cc1
InChIInChI=1S/C19H26N4O3/c1-14(19-21-20-15(2)26-19)22-10-12-23(13-11-22)18(24)9-6-16-4-7-17(25-3)8-5-16/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyZFMDMVNOFLEPLI-UHFFFAOYSA-N
XLogP2.22
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
3-(4-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395779
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
(2R)-N-tert-butyl-2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]propanamide
CID 52507184
3-(4-methoxyphenyl)-1-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]propan-1-one
CID 71931446
3-(4-methoxyphenyl)-1-[4-[3-(2-methylpropoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 47080708
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349824
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]propan-1-one
CID 110645900
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 95284978

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one (CID 51126431) is 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(C(C)c3nnc(C)o3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is ZFMDMVNOFLEPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(19-21-20-15(2)26-19)22-10-12-23(13-11-22)18(24)9-6-16-4-7-17(25-3)8-5-16/h4-5,7-8,14H,6,9-13H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 358.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51126431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).