1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one

C17H34N4O2 — CID 111489679

IUPAC1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(CO)N1CCN(C(C)C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-4-16(14-22)20-12-10-19(11-13-20)15(3)17(23)21-8-6-18(5-2)7-9-21/h15-16,22H,4-14H2,1-3H3
InChIKeyATKXJPBXJKQDGX-UHFFFAOYSA-N
MW326.49 g/mol
LogP-0.07
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 111489679) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
PubChem CID111489679
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(CO)N1CCN(C(C)C(=O)N2CCN(CC)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-4-16(14-22)20-12-10-19(11-13-20)15(3)17(23)21-8-6-18(5-2)7-9-21/h15-16,22H,4-14H2,1-3H3
InChIKeyATKXJPBXJKQDGX-UHFFFAOYSA-N
XLogP-0.07
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one (CID 111489679) is 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one is CCC(CO)N1CCN(C(C)C(=O)N2CCN(CC)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is ATKXJPBXJKQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-4-16(14-22)20-12-10-19(11-13-20)15(3)17(23)21-8-6-18(5-2)7-9-21/h15-16,22H,4-14H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 326.49 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 111489679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).