2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one

C16H30N2O2 — CID 1223131

IUPAC2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C16H30N2O2/c1-5-13(6-2)15(19)17-9-11-18(12-10-17)16(20)14(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKeyVKZBHXZVWYDXBB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.53
Rot. Bonds6

About 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one

2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one (PubChem CID 1223131) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one
PubChem CID1223131
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C16H30N2O2/c1-5-13(6-2)15(19)17-9-11-18(12-10-17)16(20)14(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKeyVKZBHXZVWYDXBB-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one (CID 1223131) is 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(C(=O)C(CC)CC)CC1.
What is the InChIKey of 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one?
The InChIKey is VKZBHXZVWYDXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-13(6-2)15(19)17-9-11-18(12-10-17)16(20)14(7-3)8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(2-ethylbutanoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 1223131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).