[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone

C24H30N2O3 — CID 120740228

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(OC3CCOCC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-2-18-3-5-19(6-4-18)23-17-25-13-14-26(23)24(27)20-7-9-21(10-8-20)29-22-11-15-28-16-12-22/h3-10,22-23,25H,2,11-17H2,1H3
InChIKeyRUFMIAGMEQVUFL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.59
Rot. Bonds5

About [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone

[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone (PubChem CID 120740228) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
PubChem CID120740228
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(OC3CCOCC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-2-18-3-5-19(6-4-18)23-17-25-13-14-26(23)24(27)20-7-9-21(10-8-20)29-22-11-15-28-16-12-22/h3-10,22-23,25H,2,11-17H2,1H3
InChIKeyRUFMIAGMEQVUFL-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone 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

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone (CID 120740228) is [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone is CCc1ccc(C2CNCCN2C(=O)c2ccc(OC3CCOCC3)cc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone?
The InChIKey is RUFMIAGMEQVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-18-3-5-19(6-4-18)23-17-25-13-14-26(23)24(27)20-7-9-21(10-8-20)29-22-11-15-28-16-12-22/h3-10,22-23,25H,2,11-17H2,1H3.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone?
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone has a molecular weight of 394.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone is sourced from PubChem (CID 120740228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).