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

C16H28N2O3 — CID 104598352

IUPAC1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-15(2)9-5-4-8-12(15)17-14(21)18-11-7-6-10-16(18,3)13(19)20/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyVPLHYJDJKATMAC-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.99
Rot. Bonds2

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

1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598352) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598352
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H28N2O3/c1-15(2)9-5-4-8-12(15)17-14(21)18-11-7-6-10-16(18,3)13(19)20/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyVPLHYJDJKATMAC-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597861
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770
2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79870364
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
1-methyl-2-(piperidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214218
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-(azepane-1-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83213614

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104598352) is 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CC1(C)CCCCC1NC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is VPLHYJDJKATMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2)9-5-4-8-12(15)17-14(21)18-11-7-6-10-16(18,3)13(19)20/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).