3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid

C18H26N2O3 — CID 140969557

IUPAC3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid
SMILESCC(=O)N(c1ccc(C)cc1C)C1CCN(CCC(=O)O)CC1
InChIInChI=1S/C18H26N2O3/c1-13-4-5-17(14(2)12-13)20(15(3)21)16-6-9-19(10-7-16)11-8-18(22)23/h4-5,12,16H,6-11H2,1-3H3,(H,22,23)
InChIKeyVOLSHVCZBZDOHW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.60
Rot. Bonds5

About 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid

3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid (PubChem CID 140969557) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid
PubChem CID140969557
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid
SMILESCC(=O)N(c1ccc(C)cc1C)C1CCN(CCC(=O)O)CC1
InChIInChI=1S/C18H26N2O3/c1-13-4-5-17(14(2)12-13)20(15(3)21)16-6-9-19(10-7-16)11-8-18(22)23/h4-5,12,16H,6-11H2,1-3H3,(H,22,23)
InChIKeyVOLSHVCZBZDOHW-UHFFFAOYSA-N
XLogP2.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-acetylpiperidin-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 140969567
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
3-[3-(2,4-dimethylphenoxy)piperidin-1-yl]propanoic acid
CID 84755635
3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoic acid
CID 4741828
N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 22294993
3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 10316907
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 98019521
3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid
CID 134069329
1-[2-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82485246
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)acetamide
CID 113124191

Frequently Asked Questions

What is the IUPAC name of 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid (CID 140969557) is 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid is CC(=O)N(c1ccc(C)cc1C)C1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid?
The InChIKey is VOLSHVCZBZDOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-4-5-17(14(2)12-13)20(15(3)21)16-6-9-19(10-7-16)11-8-18(22)23/h4-5,12,16H,6-11H2,1-3H3,(H,22,23).
What are the key properties of 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid?
3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid has a molecular weight of 318.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(N-acetyl-2,4-dimethylanilino)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 140969557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).