1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one

C14H27N3O2 — CID 54989916

IUPAC1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCCOC1CCCN(C(=O)C(C)N2CCNCC2)C1
InChIInChI=1S/C14H27N3O2/c1-3-19-13-5-4-8-17(11-13)14(18)12(2)16-9-6-15-7-10-16/h12-13,15H,3-11H2,1-2H3
InChIKeyBPIOHWMFLQBQKK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds4

About 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one

1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 54989916) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID54989916
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
SMILESCCOC1CCCN(C(=O)C(C)N2CCNCC2)C1
InChIInChI=1S/C14H27N3O2/c1-3-19-13-5-4-8-17(11-13)14(18)12(2)16-9-6-15-7-10-16/h12-13,15H,3-11H2,1-2H3
InChIKeyBPIOHWMFLQBQKK-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550106
(2S)-1-[(3R)-3-ethoxypiperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95191999
3-(3-ethoxypiperidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76926876
3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106112639
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
1-(4-ethyl-3-methylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 63620232
2-amino-1-(3-ethoxypiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 54989954
3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 54990119
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
1-[(3S)-3-ethoxypiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 155958844

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one (CID 54989916) is 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one is CCOC1CCCN(C(=O)C(C)N2CCNCC2)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is BPIOHWMFLQBQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-19-13-5-4-8-17(11-13)14(18)12(2)16-9-6-15-7-10-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one?
1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 54989916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).