methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate

C20H22N2O3 — CID 110818280

IUPACmethyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-25-20(24)22-14-12-21(13-15-22)19(23)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyAUJOIQDJCGDVBM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.73
Rot. Bonds3

About methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate

methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate (PubChem CID 110818280) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
PubChem CID110818280
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-25-20(24)22-14-12-21(13-15-22)19(23)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyAUJOIQDJCGDVBM-UHFFFAOYSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate 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

tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
CID 84579916
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
CID 3570393

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate (CID 110818280) is methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
The InChIKey is AUJOIQDJCGDVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-20(24)22-14-12-21(13-15-22)19(23)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3.
What are the key properties of methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 110818280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).