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

C13H22N2O3 — CID 43135680

IUPAC1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCCN1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-10-5-2-3-8-15(10)13(18)14-7-4-6-11(9-14)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeySUEHRPCFLOSWHF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds1

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

1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43135680) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID43135680
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCCN1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-10-5-2-3-8-15(10)13(18)14-7-4-6-11(9-14)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeySUEHRPCFLOSWHF-UHFFFAOYSA-N
XLogP1.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
(3S)-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidine-3-carboxylic acid
CID 102885151
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (CID 43135680) is 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is CC1CCCCN1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SUEHRPCFLOSWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-5-2-3-8-15(10)13(18)14-7-4-6-11(9-14)12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43135680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).