2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid

C11H19NO4 — CID 79615303

IUPAC2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
SMILESCOCCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-16-7-4-10(13)12-5-2-9(3-6-12)8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyCPJUIUDFWCEMFY-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.74
Rot. Bonds5

About 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid

2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid (PubChem CID 79615303) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
PubChem CID79615303
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
SMILESCOCCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H19NO4/c1-16-7-4-10(13)12-5-2-9(3-6-12)8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyCPJUIUDFWCEMFY-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic 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

2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 167010737
2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
CID 119178205
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid (CID 79615303) is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid is COCCC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid?
The InChIKey is CPJUIUDFWCEMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-7-4-10(13)12-5-2-9(3-6-12)8-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid?
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).