1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one

C12H22N4O2 — CID 124590607

IUPAC1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESC[C@H]1CN(C(=O)CN2CCNCC2=O)C[C@H](C)N1
InChIInChI=1S/C12H22N4O2/c1-9-6-16(7-10(2)14-9)12(18)8-15-4-3-13-5-11(15)17/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyKXXNKZTXVYHCEH-UWVGGRQHSA-N
MW254.33 g/mol
LogP-1.37
Rot. Bonds2

About 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one

1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 124590607) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID124590607
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESC[C@H]1CN(C(=O)CN2CCNCC2=O)C[C@H](C)N1
InChIInChI=1S/C12H22N4O2/c1-9-6-16(7-10(2)14-9)12(18)8-15-4-3-13-5-11(15)17/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyKXXNKZTXVYHCEH-UWVGGRQHSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one (CID 124590607) is 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one is C[C@H]1CN(C(=O)CN2CCNCC2=O)C[C@H](C)N1.
What is the InChIKey of 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is KXXNKZTXVYHCEH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9-6-16(7-10(2)14-9)12(18)8-15-4-3-13-5-11(15)17/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one?
1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 254.33 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 124590607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).