(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione

C13H15IN2O2 — CID 10937222

IUPAC(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)NCC(=O)N1[C@@H](C)c1ccc(I)cc1
InChIInChI=1S/C13H15IN2O2/c1-8(10-3-5-11(14)6-4-10)16-9(2)13(18)15-7-12(16)17/h3-6,8-9H,7H2,1-2H3,(H,15,18)/t8-,9-/m0/s1
InChIKeySQIMZHBDPFOJHM-IUCAKERBSA-N
MW358.18 g/mol
LogP1.70
Rot. Bonds2

About (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione

(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione (PubChem CID 10937222) has the molecular formula C13H15IN2O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione
PubChem CID10937222
Molecular FormulaC13H15IN2O2
Molecular Weight358.18 g/mol
Exact Mass358.02
IUPAC Name(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione
SMILESC[C@H]1C(=O)NCC(=O)N1[C@@H](C)c1ccc(I)cc1
InChIInChI=1S/C13H15IN2O2/c1-8(10-3-5-11(14)6-4-10)16-9(2)13(18)15-7-12(16)17/h3-6,8-9H,7H2,1-2H3,(H,15,18)/t8-,9-/m0/s1
InChIKeySQIMZHBDPFOJHM-IUCAKERBSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione (CID 10937222) is (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione is C[C@H]1C(=O)NCC(=O)N1[C@@H](C)c1ccc(I)cc1.
What is the InChIKey of (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione?
The InChIKey is SQIMZHBDPFOJHM-IUCAKERBSA-N. The full InChI is InChI=1S/C13H15IN2O2/c1-8(10-3-5-11(14)6-4-10)16-9(2)13(18)15-7-12(16)17/h3-6,8-9H,7H2,1-2H3,(H,15,18)/t8-,9-/m0/s1.
What are the key properties of (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione?
(6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione has a molecular weight of 358.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[(1S)-1-(4-iodophenyl)ethyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 10937222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).