2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate

C14H22NO3- — CID 4143151

IUPAC2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate
SMILESCC1CCN(C(=O)C2CCCCC2C(=O)[O-])CC1
InChIInChI=1S/C14H23NO3/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/p-1
InChIKeyRRRVWTBLNFKZEE-UHFFFAOYSA-M
MW252.33 g/mol
LogP0.80
Rot. Bonds2

About 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate

2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate (PubChem CID 4143151) has the molecular formula C14H22NO3- and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate
PubChem CID4143151
Molecular FormulaC14H22NO3-
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate
SMILESCC1CCN(C(=O)C2CCCCC2C(=O)[O-])CC1
InChIInChI=1S/C14H23NO3/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/p-1
InChIKeyRRRVWTBLNFKZEE-UHFFFAOYSA-M
XLogP0.80
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-(cyclohexylcarbonyl)-4-piperidinecarboxylate
CID 798678
Methyl 1-(3-cyclohexylpropanoyl)-4-piperidinecarboxylate
CID 756673
2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2837862
2-(4-Methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 306753
2-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic Acid
CID 2838248
2-Diisobutylcarbamoyl-cyclohexanecarboxylic acid
CID 495031
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic Acid
CID 3475386
2-[Di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
2-(1-Azepanylcarbonyl)cyclohexanecarboxylic acid
CID 2839451
2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic Acid
CID 4196302
Isonipecotic acid, N-(cyclohexylcarbonyl)-, octyl ester
CID 91737672
Isonipecotic acid, N-(cyclohexylcarbonyl)-, nonyl ester
CID 91738873

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
The IUPAC name of 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate (CID 4143151) is 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
The canonical SMILES for 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate is CC1CCN(C(=O)C2CCCCC2C(=O)[O-])CC1.
What is the InChIKey of 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
The InChIKey is RRRVWTBLNFKZEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO3/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate?
2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate has a molecular weight of 252.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 4143151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).