2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

C13H24N2O3 — CID 65297852

IUPAC2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCN1CCC(N(C)C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18)9-11(16)15(4)10-5-7-14(3)8-6-10/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyWKNHJYWWZCMRJR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds4

About 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 65297852) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
PubChem CID65297852
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCN1CCC(N(C)C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,12(17)18)9-11(16)15(4)10-5-7-14(3)8-6-10/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyWKNHJYWWZCMRJR-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 115157304
2,2-dimethyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115136698
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
2-(2-aminoethoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 79462989
5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934557
4-[2-adamantyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302518
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
5-cyclohexyl-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 59421574

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (CID 65297852) is 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is CN1CCC(N(C)C(=O)CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is WKNHJYWWZCMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,12(17)18)9-11(16)15(4)10-5-7-14(3)8-6-10/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 65297852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).