2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid

C12H22N2O3 — CID 106745125

IUPAC2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
SMILESCNC(=O)CCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H22N2O3/c1-9-8-10(12(16)17)5-7-14(9)6-3-4-11(15)13-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCXXJDGHHIUUAGM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds5

About 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid

2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid (PubChem CID 106745125) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
PubChem CID106745125
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
SMILESCNC(=O)CCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H22N2O3/c1-9-8-10(12(16)17)5-7-14(9)6-3-4-11(15)13-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCXXJDGHHIUUAGM-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745088
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
2-methyl-1-octylpiperidine-4-carboxylic acid
CID 106744771
1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769
2-methyl-1-(4-methylsulfanylbutyl)piperidine-4-carboxylic acid
CID 106745352
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744774
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106744699
2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
CID 106744761
N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
CID 66271101
N-methyl-4-[4-(methylamino)piperidin-1-yl]butanamide
CID 63891147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid (CID 106745125) is 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid is CNC(=O)CCCN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid?
The InChIKey is CXXJDGHHIUUAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-8-10(12(16)17)5-7-14(9)6-3-4-11(15)13-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid?
2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106745125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).