tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate

C21H26N2O3 — CID 140993282

IUPACtert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)23-12-10-22(11-13-23)19(24)15-16-8-9-17-6-4-5-7-18(17)14-16/h4-9,14H,10-13,15H2,1-3H3
InChIKeyQBQJJJZNPRMQPU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.46
Rot. Bonds2

About tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate

tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate (PubChem CID 140993282) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
PubChem CID140993282
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nametert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)23-12-10-22(11-13-23)19(24)15-16-8-9-17-6-4-5-7-18(17)14-16/h4-9,14H,10-13,15H2,1-3H3
InChIKeyQBQJJJZNPRMQPU-UHFFFAOYSA-N
XLogP3.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2-naphthalen-2-ylacetyl)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

1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
tert-butyl 4-[2-(4-bromo-3-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 156792768
tert-butyl 3-[[(2-naphthalen-2-ylacetyl)amino]methyl]azetidine-1-carboxylate
CID 167461978
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
naphthalene-2-carbaldehyde;1-(naphthalen-2-ylmethyl)-1,4,7,10-tetrazacyclododecane;tritert-butyl 10-(naphthalen-2-ylmethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate;tritert-butyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 159230931
tert-butyl 4-[2-(3-ethenyl-4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 176516106
N-methyl-2-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]benzenesulfonamide
CID 75369355
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-naphthalen-2-ylacetic acid
CID 2762256

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate (CID 140993282) is tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate?
The InChIKey is QBQJJJZNPRMQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)23-12-10-22(11-13-23)19(24)15-16-8-9-17-6-4-5-7-18(17)14-16/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate?
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 140993282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).