(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one

C8H14N2O2 — CID 59248753

IUPAC(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one
SMILESCC(=O)[C@H]1CN(C)[C@H](C)C(=O)N1
InChIInChI=1S/C8H14N2O2/c1-5-8(12)9-7(6(2)11)4-10(5)3/h5,7H,4H2,1-3H3,(H,9,12)/t5-,7-/m1/s1
InChIKeyZBWVUYOJNDJARU-IYSWYEEDSA-N
MW170.21 g/mol
LogP-0.61
Rot. Bonds1

About (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one

(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one (PubChem CID 59248753) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one.

Molecular Properties

Compound Name(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one
PubChem CID59248753
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one
SMILESCC(=O)[C@H]1CN(C)[C@H](C)C(=O)N1
InChIInChI=1S/C8H14N2O2/c1-5-8(12)9-7(6(2)11)4-10(5)3/h5,7H,4H2,1-3H3,(H,9,12)/t5-,7-/m1/s1
InChIKeyZBWVUYOJNDJARU-IYSWYEEDSA-N
XLogP-0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one?
The IUPAC name of (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one (CID 59248753) is (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one.
What is the SMILES notation for (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one?
The canonical SMILES for (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one is CC(=O)[C@H]1CN(C)[C@H](C)C(=O)N1.
What is the InChIKey of (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one?
The InChIKey is ZBWVUYOJNDJARU-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-8(12)9-7(6(2)11)4-10(5)3/h5,7H,4H2,1-3H3,(H,9,12)/t5-,7-/m1/s1.
What are the key properties of (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one?
(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one is sourced from PubChem (CID 59248753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).