1-(dimethylcarbamoyl)piperidine-3-carboxylic acid

C9H16N2O3 — CID 3470698

IUPAC1-(dimethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-10(2)9(14)11-5-3-4-7(6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyBKBIGCHIMUUAID-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.46
Rot. Bonds1

About 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid

1-(dimethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 3470698) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID3470698
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(dimethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-10(2)9(14)11-5-3-4-7(6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyBKBIGCHIMUUAID-UHFFFAOYSA-N
XLogP0.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetyl-3-piperidinecarboxylic acid
CID 14043896
1-Carbamoylpiperidine-3-carboxylic acid
CID 16226767
1-Propanoylpiperidine-3-carboxylic acid
CID 16778057
1-(2,2-Dimethylpropanoyl)piperidine-3-carboxylic acid
CID 16228559
1-(2-Methylpropyl)piperidine-3-carboxylic acid
CID 16769591
1-(Methoxycarbonyl)piperidine-3-carboxylic acid
CID 20598064
1-Ethyl-6-oxopiperidine-3-carboxylic acid
CID 44827688
1-Ethylpiperidine-3-carboxylic acid hydrochloride
CID 45075038
3-Carboxy-1,1-dimethylpiperidin-1-ium chloride
CID 44382203
1-Ethylpiperidine-3-carboxylic acid
CID 22056640
1-(2-Methylbutanoyl)piperidine-3-carboxylic acid
CID 16794986
1-Butanoylpiperidine-3-carboxylic acid
CID 20118758

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid (CID 3470698) is 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid is CN(C)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is BKBIGCHIMUUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10(2)9(14)11-5-3-4-7(6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid?
1-(dimethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 3470698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).