2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate

C22H26N2O4 — CID 69147830

IUPAC2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C22H26N2O4/c1-17(2)15-28-22(26)23-12-13-24(21(25)14-23)19-8-10-20(11-9-19)27-16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3
InChIKeyQQZSOQGGHVATKM-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.71
Rot. Bonds6

About 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate

2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate (PubChem CID 69147830) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate
PubChem CID69147830
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C22H26N2O4/c1-17(2)15-28-22(26)23-12-13-24(21(25)14-23)19-8-10-20(11-9-19)27-16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3
InChIKeyQQZSOQGGHVATKM-UHFFFAOYSA-N
XLogP3.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)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

2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate
CID 67084957
2-methylpropyl 3-oxo-4-thiophen-3-ylpiperazine-1-carboxylate
CID 67085110
2-methylpropyl 4-(3-cyanophenyl)-3-oxopiperazine-1-carboxylate
CID 67084985
benzyl 3-oxo-4-phenyl-1,4-diazepane-1-carboxylate
CID 110873869
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
CID 54227295
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
CID 70727058
N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate (CID 69147830) is 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)C(=O)C1.
What is the InChIKey of 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate?
The InChIKey is QQZSOQGGHVATKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-17(2)15-28-22(26)23-12-13-24(21(25)14-23)19-8-10-20(11-9-19)27-16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate?
2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 69147830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).