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

C10H16N2O3 — CID 23034702

IUPACmethyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate
SMILESC=CC(=O)N1CCN(C)C(C(=O)OC)C1
InChIInChI=1S/C10H16N2O3/c1-4-9(13)12-6-5-11(2)8(7-12)10(14)15-3/h4,8H,1,5-7H2,2-3H3
InChIKeyLNMRPTQPYKHUFL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.51
Rot. Bonds2

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

methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate (PubChem CID 23034702) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate
PubChem CID23034702
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate
SMILESC=CC(=O)N1CCN(C)C(C(=O)OC)C1
InChIInChI=1S/C10H16N2O3/c1-4-9(13)12-6-5-11(2)8(7-12)10(14)15-3/h4,8H,1,5-7H2,2-3H3
InChIKeyLNMRPTQPYKHUFL-UHFFFAOYSA-N
XLogP-0.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
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
Methyl 1-propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylate
CID 135165404
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-methyl-4-prop-2-enoylpiperazine-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate (CID 23034702) is methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate is C=CC(=O)N1CCN(C)C(C(=O)OC)C1.
What is the InChIKey of methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate?
The InChIKey is LNMRPTQPYKHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-9(13)12-6-5-11(2)8(7-12)10(14)15-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate?
methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate has a molecular weight of 212.25 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-prop-2-enoylpiperazine-2-carboxylate is sourced from PubChem (CID 23034702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).