ethyl 4-prop-2-enoylpiperazine-1-carboxylate

C10H16N2O3 — CID 23034696

IUPACethyl 4-prop-2-enoylpiperazine-1-carboxylate
SMILESC=CC(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C10H16N2O3/c1-3-9(13)11-5-7-12(8-6-11)10(14)15-4-2/h3H,1,4-8H2,2H3
InChIKeyZPXZPQJZNVHSNX-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.47
Rot. Bonds2

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

ethyl 4-prop-2-enoylpiperazine-1-carboxylate (PubChem CID 23034696) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 4-prop-2-enoylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-prop-2-enoylpiperazine-1-carboxylate
PubChem CID23034696
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 4-prop-2-enoylpiperazine-1-carboxylate
SMILESC=CC(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C10H16N2O3/c1-3-9(13)11-5-7-12(8-6-11)10(14)15-4-2/h3H,1,4-8H2,2H3
InChIKeyZPXZPQJZNVHSNX-UHFFFAOYSA-N
XLogP0.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 4-acryloylpiperazine-1-carboxylate
CID 58593060
2-Diethylaminoethyl 4-allylpiperazine-1-carboxylate
CID 515544
1-(4-Acetylpiperazin-1-yl)prop-2-en-1-one
CID 23034646
4-Carboxy-1,1-diallylpiperazinium bromide ethyl ester
CID 24842309
4-Carboxy-1,1-diallylpiperazinium chloride ethyl ester
CID 24842311
Ethyl trans-4-allyl-2,5-dimethyl-1-piperazinecarboxylate
CID 10823138
1-(4,4-Dimethylpiperazin-4-ium-1-yl)prop-2-en-1-one
CID 13742941
Ethyl 4-prop-2-enylpiperazine-1-carboxylate
CID 17147483
1-(4-Ethylpiperazin-1-yl)prop-2-en-1-one
CID 18793269
Ethyl 2,5-dimethyl-4-prop-2-enylpiperazine-1-carboxylate
CID 22350032
ethyl (2R,5S)-2,5-dimethyl-4-prop-2-enylpiperazine-1-carboxylate
CID 53955738
Tert-butyl 2,5-dimethyl-4-prop-2-enoylpiperazine-1-carboxylate
CID 59137733

Frequently Asked Questions

What is the IUPAC name of ethyl 4-prop-2-enoylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-prop-2-enoylpiperazine-1-carboxylate (CID 23034696) is ethyl 4-prop-2-enoylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-prop-2-enoylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-prop-2-enoylpiperazine-1-carboxylate is C=CC(=O)N1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-prop-2-enoylpiperazine-1-carboxylate?
The InChIKey is ZPXZPQJZNVHSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-9(13)11-5-7-12(8-6-11)10(14)15-4-2/h3H,1,4-8H2,2H3.
What are the key properties of ethyl 4-prop-2-enoylpiperazine-1-carboxylate?
ethyl 4-prop-2-enoylpiperazine-1-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-prop-2-enoylpiperazine-1-carboxylate is sourced from PubChem (CID 23034696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).