2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone

C18H32N4O2 — CID 57442673

IUPAC2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C18H32N4O2/c1-16(23)20-9-7-19(8-10-20)15-18(24)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h17H,2-15H2,1H3
InChIKeyAYAYMHOAWQRVSJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.63
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone

2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone (PubChem CID 57442673) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone
PubChem CID57442673
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C18H32N4O2/c1-16(23)20-9-7-19(8-10-20)15-18(24)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h17H,2-15H2,1H3
InChIKeyAYAYMHOAWQRVSJ-UHFFFAOYSA-N
XLogP0.63
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone (CID 57442673) is 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone is CC(=O)N1CCN(CC(=O)N2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone?
The InChIKey is AYAYMHOAWQRVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-16(23)20-9-7-19(8-10-20)15-18(24)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h17H,2-15H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone?
2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone has a molecular weight of 336.48 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-(4-cyclohexylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).