1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one

C17H31N3O2 — CID 168882412

IUPAC1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one
SMILESCCCC(=O)C1CCN(C(=O)CN2CCN(CC)CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-5-16(21)15-6-8-20(9-7-15)17(22)14-19-12-10-18(4-2)11-13-19/h15H,3-14H2,1-2H3
InChIKeyDIQUOXFUAZTDPZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.23
Rot. Bonds6

About 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one

1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one (PubChem CID 168882412) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one
PubChem CID168882412
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one
SMILESCCCC(=O)C1CCN(C(=O)CN2CCN(CC)CC2)CC1
InChIInChI=1S/C17H31N3O2/c1-3-5-16(21)15-6-8-20(9-7-15)17(22)14-19-12-10-18(4-2)11-13-19/h15H,3-14H2,1-2H3
InChIKeyDIQUOXFUAZTDPZ-UHFFFAOYSA-N
XLogP1.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 86982330
1-(4'-Methylpiperazinylacetyl)-2,5-dimethyl-4-piperidone
CID 129780338
3,5,5-Dimethyl-1-(4-methylpiperazine-1-yl)hexane-1,2,4-trione
CID 129859830
1-[4-(3-Methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
CID 86842752
1-[4-[1-(2,2,2-Trifluoroacetyl)piperidine-4-carbonyl]piperazin-1-yl]propan-2-one
CID 110665571
1-[(3,5-Dimethylpiperidin-1-yl)acetyl]piperidine-4-carboxamide
CID 16457422
1-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 45352967
2-[4-(3,5-Dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 46384982
1-[4-(4-Methylpiperazine-1-carbonyl)piperidin-1-yl]ethan-1-one
CID 18715040
1-(4-Methylpiperazin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone
CID 18715048
2-(1-Acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 18715067
1-(4-Butanoylpiperazin-1-yl)-2-methylheptan-4-one
CID 21027219

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one?
The IUPAC name of 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one (CID 168882412) is 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one.
What is the SMILES notation for 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one?
The canonical SMILES for 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one is CCCC(=O)C1CCN(C(=O)CN2CCN(CC)CC2)CC1.
What is the InChIKey of 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one?
The InChIKey is DIQUOXFUAZTDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-5-16(21)15-6-8-20(9-7-15)17(22)14-19-12-10-18(4-2)11-13-19/h15H,3-14H2,1-2H3.
What are the key properties of 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one?
1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-4-yl]butan-1-one is sourced from PubChem (CID 168882412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).