4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 107067899

IUPAC4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2NCCCC2C)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-10-5-7-15(8-6-10,14(19)20)17-13(18)12-11(2)4-3-9-16-12/h10-12,16H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJFWZYNVJCPJQBA-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.52
Rot. Bonds3

About 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107067899) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107067899
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2NCCCC2C)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-10-5-7-15(8-6-10,14(19)20)17-13(18)12-11(2)4-3-9-16-12/h10-12,16H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJFWZYNVJCPJQBA-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
4-ethyl-1-[[(2R)-pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 103870910
4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122108091
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 122129367
1-[(2-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 107175622
2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068050
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104913572

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 107067899) is 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)C2NCCCC2C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JFWZYNVJCPJQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-5-7-15(8-6-10,14(19)20)17-13(18)12-11(2)4-3-9-16-12/h10-12,16H,3-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylpiperidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107067899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).