3-ethoxy-1-piperidin-1-ylpropan-1-one

C10H19NO2 — CID 63184381

IUPAC3-ethoxy-1-piperidin-1-ylpropan-1-one
SMILESCCOCCC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-13-9-6-10(12)11-7-4-3-5-8-11/h2-9H2,1H3
InChIKeyJFTXEAVGGKUVOQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.43
Rot. Bonds4

About 3-ethoxy-1-piperidin-1-ylpropan-1-one

3-ethoxy-1-piperidin-1-ylpropan-1-one (PubChem CID 63184381) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-ethoxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-piperidin-1-ylpropan-1-one
PubChem CID63184381
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-ethoxy-1-piperidin-1-ylpropan-1-one
SMILESCCOCCC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-2-13-9-6-10(12)11-7-4-3-5-8-11/h2-9H2,1H3
InChIKeyJFTXEAVGGKUVOQ-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-(3-ethoxypropanoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041945
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
ethane;2-ethoxyethyl N,N-bis(2-oxo-2-piperidin-1-ylethyl)carbamate
CID 90856999
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride
CID 154907984
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
CID 78876077
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
3-methylperoxy-1-pyrrolidin-1-ylpropan-1-one
CID 88902990
[3-(azocan-1-yl)-3-oxopropyl] carbamate
CID 69258184

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-ethoxy-1-piperidin-1-ylpropan-1-one (CID 63184381) is 3-ethoxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-ethoxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-ethoxy-1-piperidin-1-ylpropan-1-one is CCOCCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is JFTXEAVGGKUVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-9-6-10(12)11-7-4-3-5-8-11/h2-9H2,1H3.
What are the key properties of 3-ethoxy-1-piperidin-1-ylpropan-1-one?
3-ethoxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 63184381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).