3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid

C9H16N2O3 — CID 130516067

IUPAC3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
SMILESCNC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C9H16N2O3/c1-6-5-11(9(14)10-2)4-3-7(6)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyJVCQMBYFNJRPCG-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.37
Rot. Bonds1

About 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid

3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 130516067) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID130516067
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid
SMILESCNC(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C9H16N2O3/c1-6-5-11(9(14)10-2)4-3-7(6)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyJVCQMBYFNJRPCG-UHFFFAOYSA-N
XLogP0.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 114278565
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
3-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 146108336
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
1-(1-ethoxypropan-2-ylcarbamoyl)-3-methylpiperidine-4-carboxylic acid
CID 114278573
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 114278560
3-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 114278574
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 114278516
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
3-formyl-N-methylpyrrolidine-1-carboxamide
CID 90692240
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278530

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid (CID 130516067) is 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid is CNC(=O)N1CCC(C(=O)O)C(C)C1.
What is the InChIKey of 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is JVCQMBYFNJRPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-5-11(9(14)10-2)4-3-7(6)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid?
3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(methylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 130516067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).