1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone

C17H32N4O3 — CID 56802300

IUPAC1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCCC1CN(CC(=O)N2CCN(C(C)=O)CC2)CCN1CCOC
InChIInChI=1S/C17H32N4O3/c1-4-16-13-18(5-6-20(16)11-12-24-3)14-17(23)21-9-7-19(8-10-21)15(2)22/h16H,4-14H2,1-3H3
InChIKeyBLQSUVZNWXOJIR-UHFFFAOYSA-N
MW340.47 g/mol
LogP-0.28
Rot. Bonds6

About 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone (PubChem CID 56802300) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
PubChem CID56802300
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCCC1CN(CC(=O)N2CCN(C(C)=O)CC2)CCN1CCOC
InChIInChI=1S/C17H32N4O3/c1-4-16-13-18(5-6-20(16)11-12-24-3)14-17(23)21-9-7-19(8-10-21)15(2)22/h16H,4-14H2,1-3H3
InChIKeyBLQSUVZNWXOJIR-UHFFFAOYSA-N
XLogP-0.28
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone (CID 56802300) is 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone is CCC1CN(CC(=O)N2CCN(C(C)=O)CC2)CCN1CCOC.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is BLQSUVZNWXOJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-4-16-13-18(5-6-20(16)11-12-24-3)14-17(23)21-9-7-19(8-10-21)15(2)22/h16H,4-14H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 340.47 g/mol, XLogP of -0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56802300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).