2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone

C16H31N3O — CID 64978777

IUPAC2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCC1CN(CC(=O)N2CCCC(C)C2)C(CC)CN1
InChIInChI=1S/C16H31N3O/c1-4-14-11-19(15(5-2)9-17-14)12-16(20)18-8-6-7-13(3)10-18/h13-15,17H,4-12H2,1-3H3
InChIKeyPSYGDKXFESXQED-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds4

About 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone

2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 64978777) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID64978777
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCC1CN(CC(=O)N2CCCC(C)C2)C(CC)CN1
InChIInChI=1S/C16H31N3O/c1-4-14-11-19(15(5-2)9-17-14)12-16(20)18-8-6-7-13(3)10-18/h13-15,17H,4-12H2,1-3H3
InChIKeyPSYGDKXFESXQED-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-diethylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 64979235
azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 79152036
1-(3-chloro-2-methylprop-2-enyl)-2,5-diethylpiperazine
CID 106439468
4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351773
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 87011135
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone (CID 64978777) is 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone is CCC1CN(CC(=O)N2CCCC(C)C2)C(CC)CN1.
What is the InChIKey of 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is PSYGDKXFESXQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-14-11-19(15(5-2)9-17-14)12-16(20)18-8-6-7-13(3)10-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 64978777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).