2-propoxy-1-(3-propylpiperidin-3-yl)ethanone

C13H25NO2 — CID 116569758

IUPAC2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCOCC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C13H25NO2/c1-3-6-13(7-5-8-14-11-13)12(15)10-16-9-4-2/h14H,3-11H2,1-2H3
InChIKeyABPHNGBWEUFZLX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.15
Rot. Bonds7

About 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone

2-propoxy-1-(3-propylpiperidin-3-yl)ethanone (PubChem CID 116569758) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
PubChem CID116569758
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCOCC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C13H25NO2/c1-3-6-13(7-5-8-14-11-13)12(15)10-16-9-4-2/h14H,3-11H2,1-2H3
InChIKeyABPHNGBWEUFZLX-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone 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-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570636
1-(3-methylpiperidin-3-yl)-2-propoxyethanone
CID 116569485
1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
CID 116569712
N-(2-ethoxyethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 81059050
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one
CID 106736401

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone?
The IUPAC name of 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone (CID 116569758) is 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone is CCCOCC(=O)C1(CCC)CCCNC1.
What is the InChIKey of 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone?
The InChIKey is ABPHNGBWEUFZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-6-13(7-5-8-14-11-13)12(15)10-16-9-4-2/h14H,3-11H2,1-2H3.
What are the key properties of 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone?
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone has a molecular weight of 227.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-(3-propylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).