1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 83213709

IUPAC1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)NC2CCCCC2(C)C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-14(7-9-16-10-8-14)12(18)17-11-5-3-4-6-15(11,2)13(19)20/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJOXMDVWDEHHQBL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds3

About 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 83213709) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID83213709
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)NC2CCCCC2(C)C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-14(7-9-16-10-8-14)12(18)17-11-5-3-4-6-15(11,2)13(19)20/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJOXMDVWDEHHQBL-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(3-methylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763010
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762890
1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763836
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
2-(1,4-diazepane-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762966
2-[(3-aminooxolane-3-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213780
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 83213709) is 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1(C(=O)NC2CCCCC2(C)C(=O)O)CCNCC1.
What is the InChIKey of 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JOXMDVWDEHHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(7-9-16-10-8-14)12(18)17-11-5-3-4-6-15(11,2)13(19)20/h11,16H,3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83213709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).