3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid

C12H22N2O3 — CID 63136057

IUPAC3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-4-7-13(3)11(17)14-8-5-6-12(2,9-14)10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyHHOLPJJEWKBKPU-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.63
Rot. Bonds3

About 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid

3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63136057) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID63136057
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCCN(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-4-7-13(3)11(17)14-8-5-6-12(2,9-14)10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyHHOLPJJEWKBKPU-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
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-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136275
3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 63136798
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136781
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956
1-(2-butylsulfanylacetyl)-3-methylpiperidine-3-carboxylic acid
CID 63134117
1-[cyclohexyl(ethyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid (CID 63136057) is 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid is CCCN(C)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HHOLPJJEWKBKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-7-13(3)11(17)14-8-5-6-12(2,9-14)10(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63136057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).