3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid

C12H22N2O3 — CID 63137697

IUPAC3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)7-13-11(17)14-6-4-5-12(3,8-14)10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUDQFPNJKVOHKSB-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid

3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63137697) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63137697
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9(2)7-13-11(17)14-6-4-5-12(3,8-14)10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUDQFPNJKVOHKSB-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
1-(2-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 113477916
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418
3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 55164154
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 55166847
3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136898
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596
1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137282
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid (CID 63137697) is 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid is CC(C)CNC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is UDQFPNJKVOHKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)7-13-11(17)14-6-4-5-12(3,8-14)10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63137697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).