2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H23NO3 — CID 4196302

IUPAC2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C(=O)C2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyLASNXWQAJQTKSB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds2

About 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 4196302) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID4196302
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C(=O)C2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H23NO3/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyLASNXWQAJQTKSB-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohexanecarboxylic acid
CID 17376897
2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2837862
2-(4-Methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 306753
2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
CID 4413147
Cis-N-(dodecyl)hexahydrophthalamic acid
CID 45049631
2-[(2,6-Dimethylpiperidin-1-yl)carbonyl]cyclohexanecarboxylic acid
CID 2838248
2-[(Cyclohexylmethyl)carbamoyl]cyclohexanecarboxylic acid
CID 6467794
Cis-2-(Carboxymethyl-propyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375287
Cis-2-(Carboxymethyl-ethyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375302
Cis-2-(Carboxymethyl-methyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375328
4-(4-Cyclohexyl-4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 172433382
2-Diisobutylcarbamoyl-cyclohexanecarboxylic acid
CID 495031

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 4196302) is 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is CC1CCCN(C(=O)C2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is LASNXWQAJQTKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 4196302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).