1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one

C10H15NO2 — CID 130611611

IUPAC1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCCC(OCC)C1
InChIInChI=1S/C10H15NO2/c1-3-10(12)11-7-5-6-9(8-11)13-4-2/h1,9H,4-8H2,2H3
InChIKeyJLZSBKKGQIRLIS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.65
Rot. Bonds2

About 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one

1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one (PubChem CID 130611611) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
PubChem CID130611611
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
SMILESC#CC(=O)N1CCCC(OCC)C1
InChIInChI=1S/C10H15NO2/c1-3-10(12)11-7-5-6-9(8-11)13-4-2/h1,9H,4-8H2,2H3
InChIKeyJLZSBKKGQIRLIS-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
3-(3-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
2-(1-aminocyclopentyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 64677827
(2S)-1-[(3R)-3-ethoxypiperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95191999

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one (CID 130611611) is 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one is C#CC(=O)N1CCCC(OCC)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one?
The InChIKey is JLZSBKKGQIRLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-10(12)11-7-5-6-9(8-11)13-4-2/h1,9H,4-8H2,2H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one?
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one is sourced from PubChem (CID 130611611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).