2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid

C12H20N2O5 — CID 79457879

IUPAC2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
SMILESCC(=O)N1CCCC(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-9(15)14-5-2-3-10(7-14)12(18)13-4-6-19-8-11(16)17/h10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyCAIQMTIQTUDUBQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.54
Rot. Bonds6

About 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid

2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79457879) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
PubChem CID79457879
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
SMILESCC(=O)N1CCCC(C(=O)NCCOCC(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-9(15)14-5-2-3-10(7-14)12(18)13-4-6-19-8-11(16)17/h10H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyCAIQMTIQTUDUBQ-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]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

(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
CID 97197580
2-[2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79464404
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463699
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464466
ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate
CID 138044979
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid (CID 79457879) is 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid is CC(=O)N1CCCC(C(=O)NCCOCC(=O)O)C1.
What is the InChIKey of 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is CAIQMTIQTUDUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-9(15)14-5-2-3-10(7-14)12(18)13-4-6-19-8-11(16)17/h10H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 272.30 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).