3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one

C24H32N2O2 — CID 3245

💊View drug profile → eprazinone
IUPAC3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
SMILESCCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3
InChIKeyBSHWLCACYCVCJE-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.90
Rot. Bonds9

About 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one

3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one (PubChem CID 3245) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
PubChem CID3245
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
SMILESCCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3
InChIKeyBSHWLCACYCVCJE-UHFFFAOYSA-N
XLogP3.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one with MolForge

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Related Compounds

Fenbutrazate
CID 20395
Eprazinone Hydrochloride
CID 73356
3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
CID 10693838
3-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-one
CID 12017337
1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-one
CID 20443023
2-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylethan-1-one
CID 20443040
Elucaine
CID 32331
1-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-3-phenylpropan-2-one
CID 24825329
2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one
CID 24825334
4-[4-(Benzyloxy)piperidino]butyl benzoate
CID 9969234
4-[4-(Benzhydryloxy)piperidino]butyl benzoate
CID 10275242
1-(4-Methylpiperazin-1-YL)propan-2-YL 2-methylbenzoate hydrochloride
CID 16189293

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one (CID 3245) is 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one is CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
The InChIKey is BSHWLCACYCVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3.
What are the key properties of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one has a molecular weight of 380.53 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 3245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).