ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate

C14H22N2O3 — CID 94459894

IUPACethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3/t12-/m1/s1
InChIKeyVEZLRYYQBWYPSF-GFCCVEGCSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds2

About ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate

ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate (PubChem CID 94459894) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
PubChem CID94459894
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3/t12-/m1/s1
InChIKeyVEZLRYYQBWYPSF-GFCCVEGCSA-N
XLogP1.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate
CID 99856666
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
(1S,6R)-6-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate
CID 6957686
[(1S)-cyclohex-3-en-1-yl]-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 95294197
[(1R)-cyclohex-3-en-1-yl]-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95615890
[(1S)-cyclohex-3-en-1-yl]-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 100845119
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
ethyl 1-(cyclohex-3-ene-1-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 45238431

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate (CID 94459894) is ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1.
What is the InChIKey of ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate?
The InChIKey is VEZLRYYQBWYPSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-14(18)16-10-8-15(9-11-16)13(17)12-6-4-3-5-7-12/h3-4,12H,2,5-11H2,1H3/t12-/m1/s1.
What are the key properties of ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate?
ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 94459894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).