1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone

C23H28N2O2 — CID 55337903

IUPAC1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(25-15-13-24(14-16-25)18-21-12-7-17-27-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2
InChIKeyIIGBWNCBRHVWPG-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.14
Rot. Bonds5

About 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 55337903) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID55337903
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C23H28N2O2/c26-23(25-15-13-24(14-16-25)18-21-12-7-17-27-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2
InChIKeyIIGBWNCBRHVWPG-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone 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

(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 51151985
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
2-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436
4-amino-5-oxo-5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanoic acid
CID 64890084
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone (CID 55337903) is 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is IIGBWNCBRHVWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(25-15-13-24(14-16-25)18-21-12-7-17-27-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2.
What are the key properties of 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 364.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 55337903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).