methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate

C15H23NO3 — CID 54899857

IUPACmethyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C15H23NO3/c1-19-14(17)11-13-9-5-6-10-16(13)15(18)12-7-3-2-4-8-12/h2-3,12-13H,4-11H2,1H3
InChIKeyGDVVIZBWBRBXDB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.29
Rot. Bonds3

About methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate (PubChem CID 54899857) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
PubChem CID54899857
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1CC=CCC1
InChIInChI=1S/C15H23NO3/c1-19-14(17)11-13-9-5-6-10-16(13)15(18)12-7-3-2-4-8-12/h2-3,12-13H,4-11H2,1H3
InChIKeyGDVVIZBWBRBXDB-UHFFFAOYSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.29
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

2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
CID 54899519
methyl 2-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-2-yl]acetate
CID 61010521
[(2S)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 129357274
methyl 2-[(2S)-1-[(1S)-cyclohex-3-ene-1-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 38870603
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40579125
methyl 2-[1-(2-aminocyclopentanecarbonyl)piperidin-2-yl]acetate
CID 64823425
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate
CID 99856666
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate (CID 54899857) is methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C1CC=CCC1.
What is the InChIKey of methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate?
The InChIKey is GDVVIZBWBRBXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-19-14(17)11-13-9-5-6-10-16(13)15(18)12-7-3-2-4-8-12/h2-3,12-13H,4-11H2,1H3.
What are the key properties of methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 54899857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).