1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid

C14H23NO3 — CID 63123213

IUPAC1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H23NO3/c1-14(13(17)18)7-9-15(10-8-14)12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyLOKINXRVHRVXGN-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds2

About 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid

1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123213) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63123213
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H23NO3/c1-14(13(17)18)7-9-15(10-8-14)12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyLOKINXRVHRVXGN-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid (CID 63123213) is 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is LOKINXRVHRVXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(13(17)18)7-9-15(10-8-14)12(16)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).