1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid

C10H18N2O3 — CID 63136050

IUPAC1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-10(8(13)14)5-4-6-12(7-10)9(15)11(2)3/h4-7H2,1-3H3,(H,13,14)
InChIKeyOJHDVUFWOYOZLU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.85
Rot. Bonds1

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

1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136050) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63136050
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-10(8(13)14)5-4-6-12(7-10)9(15)11(2)3/h4-7H2,1-3H3,(H,13,14)
InChIKeyOJHDVUFWOYOZLU-UHFFFAOYSA-N
XLogP0.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136352
1-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63228492
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136781
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492
1-(1,1-dioxothiane-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104517586
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid (CID 63136050) is 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is CN(C)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is OJHDVUFWOYOZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(8(13)14)5-4-6-12(7-10)9(15)11(2)3/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid?
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).