1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid

C17H28N2O4 — CID 102557880

IUPAC1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C17H28N2O4/c1-17(2,3)16(23)18-9-6-7-12(11-18)14(20)19-10-5-4-8-13(19)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKeyXOTOUKPMXOSWIK-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.74
Rot. Bonds2

About 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid

1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 102557880) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID102557880
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1
InChIInChI=1S/C17H28N2O4/c1-17(2,3)16(23)18-9-6-7-12(11-18)14(20)19-10-5-4-8-13(19)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22)
InChIKeyXOTOUKPMXOSWIK-UHFFFAOYSA-N
XLogP1.74
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
(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-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
(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-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid (CID 102557880) is 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid is CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCCC2C(=O)O)C1.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is XOTOUKPMXOSWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-17(2,3)16(23)18-9-6-7-12(11-18)14(20)19-10-5-4-8-13(19)15(21)22/h12-13H,4-11H2,1-3H3,(H,21,22).
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid?
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 102557880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).