prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate

C11H19N3O3 — CID 89259378

IUPACprop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCN(C(=O)NCC)CC1
InChIInChI=1S/C11H19N3O3/c1-4-12-10(15)13-5-7-14(8-6-13)11(16)17-9(2)3/h2,4-8H2,1,3H3,(H,12,15)
InChIKeyJOROUMQAMLGLDI-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.00
Rot. Bonds2

About prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate

prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 89259378) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate
PubChem CID89259378
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameprop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate
SMILESC=C(C)OC(=O)N1CCN(C(=O)NCC)CC1
InChIInChI=1S/C11H19N3O3/c1-4-12-10(15)13-5-7-14(8-6-13)11(16)17-9(2)3/h2,4-8H2,1,3H3,(H,12,15)
InChIKeyJOROUMQAMLGLDI-UHFFFAOYSA-N
XLogP1.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
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CID 115569927
N-ethylpiperazine-1-carboxamide
CID 9207783
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
4-(2-cyclopropyl-2-hydroxyethyl)-N-ethylpiperazine-1-carboxamide
CID 71783438
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
N-[3-(ethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116657786
ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate
CID 108914484
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2-methylpropanoic acid
CID 107877477
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate (CID 89259378) is prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate is C=C(C)OC(=O)N1CCN(C(=O)NCC)CC1.
What is the InChIKey of prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is JOROUMQAMLGLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-12-10(15)13-5-7-14(8-6-13)11(16)17-9(2)3/h2,4-8H2,1,3H3,(H,12,15).
What are the key properties of prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 89259378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).