1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid

C13H20N2O4 — CID 119136731

IUPAC1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCN1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-14-6-4-9(7-11(14)16)12(17)15-5-2-3-10(8-15)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyRVWOYEZCTHRJBL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.18
Rot. Bonds2

About 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid

1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119136731) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID119136731
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid
SMILESCN1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-14-6-4-9(7-11(14)16)12(17)15-5-2-3-10(8-15)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyRVWOYEZCTHRJBL-UHFFFAOYSA-N
XLogP0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
(2S)-1-(1-methyl-2-oxopiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365065
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
(4S)-1-methyl-4-[(3R)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736480
(4S)-1-methyl-4-[(3S)-3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-2-one
CID 95736478
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
4-[(7R,8aS)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1-methylpiperidin-2-one
CID 154842383
(4R)-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 95143555
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid (CID 119136731) is 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid is CN1CCC(C(=O)N2CCCC(C(=O)O)C2)CC1=O.
What is the InChIKey of 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RVWOYEZCTHRJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-6-4-9(7-11(14)16)12(17)15-5-2-3-10(8-15)13(18)19/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid?
1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopiperidine-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119136731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).