(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid

C13H22N2O3 — CID 79034861

IUPAC(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)N2CCCC[C@@H]2C(=O)O)CCCNC1
InChIInChI=1S/C13H22N2O3/c1-13(6-4-7-14-9-13)12(18)15-8-3-2-5-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m1/s1
InChIKeyWYQXWUSUKPTAJP-VUUHIHSGSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds2

About (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034861) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034861
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)N2CCCC[C@@H]2C(=O)O)CCCNC1
InChIInChI=1S/C13H22N2O3/c1-13(6-4-7-14-9-13)12(18)15-8-3-2-5-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m1/s1
InChIKeyWYQXWUSUKPTAJP-VUUHIHSGSA-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

1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 55164698
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55177939
[2-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 112748638
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (CID 79034861) is (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is CC1(C(=O)N2CCCC[C@@H]2C(=O)O)CCCNC1.
What is the InChIKey of (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WYQXWUSUKPTAJP-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(6-4-7-14-9-13)12(18)15-8-3-2-5-10(15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)/t10-,13?/m1/s1.
What are the key properties of (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(3-methylpiperidine-3-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 (2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).