4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

C10H18N2O3 — CID 20719691

IUPAC4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCN1CCC(NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-12-6-4-8(5-7-12)11-9(13)2-3-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyRNEWGEPZZYLJBU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds4

About 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (PubChem CID 20719691) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
PubChem CID20719691
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
SMILESCN1CCC(NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-12-6-4-8(5-7-12)11-9(13)2-3-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyRNEWGEPZZYLJBU-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid (CID 20719691) is 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is CN1CCC(NC(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is RNEWGEPZZYLJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-12-6-4-8(5-7-12)11-9(13)2-3-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid?
4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 20719691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).