1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 81139232

IUPAC1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)[C@@H]1CCCNC1
InChIInChI=1S/C13H22N2O3/c16-11(10-5-4-8-14-9-10)15-13(12(17)18)6-2-1-3-7-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyFIBCMCJULGHQJA-SNVBAGLBSA-N
MW254.33 g/mol
LogP0.89
Rot. Bonds3

About 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 81139232) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID81139232
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)[C@@H]1CCCNC1
InChIInChI=1S/C13H22N2O3/c16-11(10-5-4-8-14-9-10)15-13(12(17)18)6-2-1-3-7-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyFIBCMCJULGHQJA-SNVBAGLBSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
CID 115292352
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
1-[(6-oxopiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 115281131
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
N-[1-(hydroxymethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 63006732
1-[(5-oxopyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 83191991
N-(1-ethylcyclobutyl)piperidine-3-carboxamide
CID 115734414
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
N-(1-methylcyclopentyl)pyrrolidine-3-carboxamide
CID 63005620
methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate
CID 119279270
1-[(1-acetylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120539156
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 81139232) is 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CCCNC1.
What is the InChIKey of 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FIBCMCJULGHQJA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11(10-5-4-8-14-9-10)15-13(12(17)18)6-2-1-3-7-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81139232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).