1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C16H28N2O3 — CID 104597861

IUPAC1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1CCCC(NC(=O)N2CCCCC2(C)C(=O)O)C1C
InChIInChI=1S/C16H28N2O3/c1-11-7-6-8-13(12(11)2)17-15(21)18-10-5-4-9-16(18,3)14(19)20/h11-13H,4-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyLFKUBHALJQJSIG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds2

About 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597861) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597861
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1CCCC(NC(=O)N2CCCCC2(C)C(=O)O)C1C
InChIInChI=1S/C16H28N2O3/c1-11-7-6-8-13(12(11)2)17-15(21)18-10-5-4-9-16(18,3)14(19)20/h11-13H,4-10H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyLFKUBHALJQJSIG-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598352
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
CID 124859696
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
2-methyl-1-(4-methylhexan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598318
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815791
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate
CID 95605349
2-methyl-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 113472972
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597861) is 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CC1CCCC(NC(=O)N2CCCCC2(C)C(=O)O)C1C.
What is the InChIKey of 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is LFKUBHALJQJSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-7-6-8-13(12(11)2)17-15(21)18-10-5-4-9-16(18,3)14(19)20/h11-13H,4-10H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).