3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one

C24H32N2O2 — CID 21128241

IUPAC3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
SMILESCCOC(CN1CCN(CCC(=O)c2ccc(C)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-3-28-24(22-7-5-4-6-8-22)19-26-17-15-25(16-18-26)14-13-23(27)21-11-9-20(2)10-12-21/h4-12,24H,3,13-19H2,1-2H3
InChIKeyJOLOIKYMJVRPQK-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.96
Rot. Bonds9

About 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one

3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one (PubChem CID 21128241) 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]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
PubChem CID21128241
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
SMILESCCOC(CN1CCN(CCC(=O)c2ccc(C)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-3-28-24(22-7-5-4-6-8-22)19-26-17-15-25(16-18-26)14-13-23(27)21-11-9-20(2)10-12-21/h4-12,24H,3,13-19H2,1-2H3
InChIKeyJOLOIKYMJVRPQK-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one (CID 21128241) is 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one is CCOC(CN1CCN(CCC(=O)c2ccc(C)cc2)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The InChIKey is JOLOIKYMJVRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-28-24(22-7-5-4-6-8-22)19-26-17-15-25(16-18-26)14-13-23(27)21-11-9-20(2)10-12-21/h4-12,24H,3,13-19H2,1-2H3.
What are the key properties of 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one has a molecular weight of 380.53 g/mol, XLogP of 3.96, 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]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 21128241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).