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

C14H22N2O4 — CID 43171073

IUPAC1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-7-4-5-11(9-15)13(18)16-8-3-2-6-12(16)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyVTMGKWBTWUFPAF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.71
Rot. Bonds2

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

1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43171073) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID43171073
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-7-4-5-11(9-15)13(18)16-8-3-2-6-12(16)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyVTMGKWBTWUFPAF-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-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

(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 102557880
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355521

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid (CID 43171073) is 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is CC(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1.
What is the InChIKey of 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is VTMGKWBTWUFPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)15-7-4-5-11(9-15)13(18)16-8-3-2-6-12(16)14(19)20/h11-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid?
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43171073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).