methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate

C14H22N2O3 — CID 99856666

IUPACmethyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c1-19-13(17)11-15-7-9-16(10-8-15)14(18)12-5-3-2-4-6-12/h2-3,12H,4-11H2,1H3/t12-/m1/s1
InChIKeyBIPZRMXHIUJXGU-GFCCVEGCSA-N
MW266.34 g/mol
LogP0.66
Rot. Bonds3

About methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate

methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate (PubChem CID 99856666) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate
PubChem CID99856666
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c1-19-13(17)11-15-7-9-16(10-8-15)14(18)12-5-3-2-4-6-12/h2-3,12H,4-11H2,1H3/t12-/m1/s1
InChIKeyBIPZRMXHIUJXGU-GFCCVEGCSA-N
XLogP0.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
CID 94459894
[(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
methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
CID 54899857
[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 94096909
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
cyclohex-3-en-1-yl-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561708
2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 47058306
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501701

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate (CID 99856666) is methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)[C@@H]2CC=CCC2)CC1.
What is the InChIKey of methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate?
The InChIKey is BIPZRMXHIUJXGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-13(17)11-15-7-9-16(10-8-15)14(18)12-5-3-2-4-6-12/h2-3,12H,4-11H2,1H3/t12-/m1/s1.
What are the key properties of methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate?
methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate has a molecular weight of 266.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate is sourced from PubChem (CID 99856666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).