(3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione

C11H20N2O2 — CID 102301275

IUPAC(3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N[C@@H](C(C)CC)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-6-13-7-9(14)12-10(11(13)15)8(3)5-2/h8,10H,4-7H2,1-3H3,(H,12,14)/t8?,10-/m0/s1
InChIKeyZHSCMRXZQOTGOJ-HTLJXXAVSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds4

About (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione

(3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione (PubChem CID 102301275) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione
PubChem CID102301275
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N[C@@H](C(C)CC)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-6-13-7-9(14)12-10(11(13)15)8(3)5-2/h8,10H,4-7H2,1-3H3,(H,12,14)/t8?,10-/m0/s1
InChIKeyZHSCMRXZQOTGOJ-HTLJXXAVSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione (CID 102301275) is (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N[C@@H](C(C)CC)C1=O.
What is the InChIKey of (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione?
The InChIKey is ZHSCMRXZQOTGOJ-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-13-7-9(14)12-10(11(13)15)8(3)5-2/h8,10H,4-7H2,1-3H3,(H,12,14)/t8?,10-/m0/s1.
What are the key properties of (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione?
(3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butan-2-yl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 102301275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).