tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate

C17H24N2O4 — CID 66847563

IUPACtert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)15(20)13-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyHHBBILNLXJQKRT-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate

tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate (PubChem CID 66847563) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
PubChem CID66847563
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)15(20)13-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyHHBBILNLXJQKRT-UHFFFAOYSA-N
XLogP2.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(2-phenoxyacetyl)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-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
tert-butyl 4-[2-(3-aminophenoxy)acetyl]piperazine-1-carboxylate
CID 58795972
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
3,3-dimethyl-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]butan-1-one
CID 110798749
3-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 110346834
tert-butyl 4-[2-[4-(1-adamantyl)phenoxy]acetyl]piperazine-1-carboxylate
CID 71542291
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
2-(2-methoxyethoxy)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108547727

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate (CID 66847563) is tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate?
The InChIKey is HHBBILNLXJQKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-11-9-18(10-12-19)15(20)13-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate?
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 66847563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).