4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one

C12H23N3O2 — CID 63600887

IUPAC4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
SMILESCCC(C)NCC(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H23N3O2/c1-4-9(3)14-8-11(16)15-7-6-13-12(17)10(15)5-2/h9-10,14H,4-8H2,1-3H3,(H,13,17)
InChIKeyJYMZGQSGXWWEHR-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds5

About 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one

4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one (PubChem CID 63600887) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
PubChem CID63600887
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
SMILESCCC(C)NCC(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H23N3O2/c1-4-9(3)14-8-11(16)15-7-6-13-12(17)10(15)5-2/h9-10,14H,4-8H2,1-3H3,(H,13,17)
InChIKeyJYMZGQSGXWWEHR-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one (CID 63600887) is 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one is CCC(C)NCC(=O)N1CCNC(=O)C1CC.
What is the InChIKey of 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one?
The InChIKey is JYMZGQSGXWWEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-9(3)14-8-11(16)15-7-6-13-12(17)10(15)5-2/h9-10,14H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one?
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).