methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate

C12H20N2O3 — CID 135165404

IUPACmethyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate
SMILESC=CC(=O)N1CCN(C(C)C)C(C(=O)OC)C1
InChIInChI=1S/C12H20N2O3/c1-5-11(15)13-6-7-14(9(2)3)10(8-13)12(16)17-4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyGCHMXSCSRREIAU-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.27
Rot. Bonds3

About methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate

methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate (PubChem CID 135165404) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate
PubChem CID135165404
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate
SMILESC=CC(=O)N1CCN(C(C)C)C(C(=O)OC)C1
InChIInChI=1S/C12H20N2O3/c1-5-11(15)13-6-7-14(9(2)3)10(8-13)12(16)17-4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyGCHMXSCSRREIAU-UHFFFAOYSA-N
XLogP0.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-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

methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
Methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate
CID 23034702
Methyl 2-(4-prop-2-enoylpiperazin-1-yl)acetate
CID 60949112
Methyl 4-acetyl-1-methylpiperazine-2-carboxylate
CID 89936531
Methyl 1-acetyl-4-methylpiperazine-2-carboxylate
CID 89952819
2-(4-Prop-2-enoylpiperazin-1-yl)ethyl propanoate
CID 117730656
Methyl 2-(3,3,5,5-tetramethyl-4-prop-2-enoylpiperazin-1-yl)acetate
CID 129141607
Methyl 2-[prop-2-enoyl(propyl)amino]propanoate
CID 134486315
Methyl 2-[propan-2-yl(prop-2-enoyl)amino]propanoate
CID 134486327
Methyl 2-[butyl(prop-2-enoyl)amino]propanoate
CID 134486378
1-Propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid
CID 135165427
4-Propan-2-yl-1-prop-2-enoylpiperazine-2-carboxylic acid
CID 135165441

Frequently Asked Questions

What is the IUPAC name of methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate?
The IUPAC name of methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate (CID 135165404) is methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate?
The canonical SMILES for methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate is C=CC(=O)N1CCN(C(C)C)C(C(=O)OC)C1.
What is the InChIKey of methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate?
The InChIKey is GCHMXSCSRREIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-11(15)13-6-7-14(9(2)3)10(8-13)12(16)17-4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate?
methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate is sourced from PubChem (CID 135165404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).