(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

C18H27NO3 — CID 60612571

IUPAC(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESCC1CC=CCC1COC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H27NO3/c1-13-5-2-3-6-16(13)12-22-18(21)15-7-4-10-19(11-15)17(20)14-8-9-14/h2-3,13-16H,4-12H2,1H3
InChIKeyCAPDJKNVOJYEIM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.78
Rot. Bonds4

About (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate

(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (PubChem CID 60612571) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
PubChem CID60612571
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
SMILESCC1CC=CCC1COC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H27NO3/c1-13-5-2-3-6-16(13)12-22-18(21)15-7-4-10-19(11-15)17(20)14-8-9-14/h2-3,13-16H,4-12H2,1H3
InChIKeyCAPDJKNVOJYEIM-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.78
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 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612232
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612573
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612350
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 79383234
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
CID 64767643

Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The IUPAC name of (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate (CID 60612571) is (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate.
What is the SMILES notation for (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The canonical SMILES for (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is CC1CC=CCC1COC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
The InChIKey is CAPDJKNVOJYEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13-5-2-3-6-16(13)12-22-18(21)15-7-4-10-19(11-15)17(20)14-8-9-14/h2-3,13-16H,4-12H2,1H3.
What are the key properties of (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate?
(6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohex-3-en-1-yl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 60612571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).