3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid

C12H22N2O3 — CID 102736543

IUPAC3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(=O)NCC1CCN(CC(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(12(16)17)8-14-5-3-11(4-6-14)7-13-10(2)15/h9,11H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGHIVGCSTLFYBCU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds5

About 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid

3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid (PubChem CID 102736543) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
PubChem CID102736543
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(=O)NCC1CCN(CC(C)C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(12(16)17)8-14-5-3-11(4-6-14)7-13-10(2)15/h9,11H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGHIVGCSTLFYBCU-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic 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-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[[1-(2,2-dimethoxyethyl)piperidin-4-yl]methyl]acetamide
CID 105346505
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 43538757
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
CID 114798284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid (CID 102736543) is 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid is CC(=O)NCC1CCN(CC(C)C(=O)O)CC1.
What is the InChIKey of 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid?
The InChIKey is GHIVGCSTLFYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(12(16)17)8-14-5-3-11(4-6-14)7-13-10(2)15/h9,11H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid?
3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 102736543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).