1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

C14H27N3O — CID 95173796

IUPAC1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCCN1CCN(C(=O)CC2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-8-10-17(11-9-16)14(18)12-13-4-6-15(2)7-5-13/h13H,3-12H2,1-2H3
InChIKeyIXXAERXAYAXVAX-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.88
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 95173796) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID95173796
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCCN1CCN(C(=O)CC2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-3-16-8-10-17(11-9-16)14(18)12-13-4-6-15(2)7-5-13/h13H,3-12H2,1-2H3
InChIKeyIXXAERXAYAXVAX-UHFFFAOYSA-N
XLogP0.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (CID 95173796) is 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is CCN1CCN(C(=O)CC2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is IXXAERXAYAXVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-16-8-10-17(11-9-16)14(18)12-13-4-6-15(2)7-5-13/h13H,3-12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 95173796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).