1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H20N2O4 — CID 115281131

IUPAC1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C1CCC(C(=O)NC2(C(=O)O)CCCCC2)CN1
InChIInChI=1S/C13H20N2O4/c16-10-5-4-9(8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h9H,1-8H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRDUSNBBFEJZRPC-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.42
Rot. Bonds3

About 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115281131) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115281131
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C1CCC(C(=O)NC2(C(=O)O)CCCCC2)CN1
InChIInChI=1S/C13H20N2O4/c16-10-5-4-9(8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h9H,1-8H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRDUSNBBFEJZRPC-UHFFFAOYSA-N
XLogP0.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-oxopyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 83191991
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232
1-(thiane-4-carbonylamino)cycloheptane-1-carboxylic acid
CID 120538857
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide
CID 83192678
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 106703045
1-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 120666263
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 115281131) is 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C1CCC(C(=O)NC2(C(=O)O)CCCCC2)CN1.
What is the InChIKey of 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RDUSNBBFEJZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-10-5-4-9(8-14-10)11(17)15-13(12(18)19)6-2-1-3-7-13/h9H,1-8H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115281131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).