tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate

C23H28N2O3 — CID 16617188

IUPACtert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)25-16-14-24(15-17-25)21(26)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyJEIQIYDAUSZRPZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.90
Rot. Bonds3

About tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate

tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate (PubChem CID 16617188) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
PubChem CID16617188
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)25-16-14-24(15-17-25)21(26)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyJEIQIYDAUSZRPZ-UHFFFAOYSA-N
XLogP3.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]piperazine-1-carboxylate
CID 56516870
tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
tert-butyl N-[3-[[1-(2,2-diphenylacetyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919219
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
tert-butyl N-[3-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108918958
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate (CID 16617188) is tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
The InChIKey is JEIQIYDAUSZRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)25-16-14-24(15-17-25)21(26)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate?
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 16617188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).