cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

C17H25NO3 — CID 60612232

IUPACcyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESO=C(OCC1CC=CCC1)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H25NO3/c19-16(14-8-9-14)18-10-4-7-15(11-18)17(20)21-12-13-5-2-1-3-6-13/h1-2,13-15H,3-12H2
InChIKeyAQVMIAPWDRLMIU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.53
Rot. Bonds4

About cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (PubChem CID 60612232) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
PubChem CID60612232
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namecyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESO=C(OCC1CC=CCC1)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H25NO3/c19-16(14-8-9-14)18-10-4-7-15(11-18)17(20)21-12-13-5-2-1-3-6-13/h1-2,13-15H,3-12H2
InChIKeyAQVMIAPWDRLMIU-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.53
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

cyclohex-3-en-1-ylmethyl cyclohexanecarboxylate
CID 66696550
(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612571
[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate
CID 51381222
methyl (3R)-1-[[(1R)-cyclohex-3-en-1-yl]methylcarbamoyl]piperidine-3-carboxylate
CID 124593338
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612573
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612350
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The IUPAC name of cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (CID 60612232) is cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is O=C(OCC1CC=CCC1)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The InChIKey is AQVMIAPWDRLMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16(14-8-9-14)18-10-4-7-15(11-18)17(20)21-12-13-5-2-1-3-6-13/h1-2,13-15H,3-12H2.
What are the key properties of cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 60612232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).