4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid

C13H22N2O3 — CID 104921848

IUPAC4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@H]2CCCCN2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-5-7-15(11(8-9)13(17)18)12(16)10-4-2-3-6-14-10/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyNONRIEUMLVOXTQ-HSOILSAZSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds2

About 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid

4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 104921848) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID104921848
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)[C@H]2CCCCN2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-5-7-15(11(8-9)13(17)18)12(16)10-4-2-3-6-14-10/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyNONRIEUMLVOXTQ-HSOILSAZSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 103869598
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175939790
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102311837
1-(2-aminocyclohexanecarbonyl)-4-methylpiperidine-2-carboxylic acid
CID 115867406
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid (CID 104921848) is 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)[C@H]2CCCCN2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is NONRIEUMLVOXTQ-HSOILSAZSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-5-7-15(11(8-9)13(17)18)12(16)10-4-2-3-6-14-10/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1.
What are the key properties of 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid?
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104921848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).