ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate

C13H23N3O3 — CID 108914484

IUPACethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)N/C=C(\C)CC)CC1
InChIInChI=1S/C13H23N3O3/c1-4-11(3)10-14-12(17)15-6-8-16(9-7-15)13(18)19-5-2/h10H,4-9H2,1-3H3,(H,14,17)/b11-10+
InChIKeyQKBUIUMNZACZCP-ZHACJKMWSA-N
MW269.34 g/mol
LogP1.78
Rot. Bonds3

About ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate

ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate (PubChem CID 108914484) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate
PubChem CID108914484
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)N/C=C(\C)CC)CC1
InChIInChI=1S/C13H23N3O3/c1-4-11(3)10-14-12(17)15-6-8-16(9-7-15)13(18)19-5-2/h10H,4-9H2,1-3H3,(H,14,17)/b11-10+
InChIKeyQKBUIUMNZACZCP-ZHACJKMWSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(E)-2-methylbut-2-enyl]piperazine-1-carboxylate
CID 783685
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
CID 28508379
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
CID 58731641
CID 58731641
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate
CID 89259378

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate (CID 108914484) is ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)N/C=C(\C)CC)CC1.
What is the InChIKey of ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate?
The InChIKey is QKBUIUMNZACZCP-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-11(3)10-14-12(17)15-6-8-16(9-7-15)13(18)19-5-2/h10H,4-9H2,1-3H3,(H,14,17)/b11-10+.
What are the key properties of ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate?
ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108914484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).