6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione

C15H16Cl2N2O2 — CID 64879937

IUPAC6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c1-15(10-3-4-10)14(21)18-7-13(20)19(15)8-9-2-5-11(16)12(17)6-9/h2,5-6,10H,3-4,7-8H2,1H3,(H,18,21)
InChIKeyAYBKNGKEDKAUJY-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.62
Rot. Bonds3

About 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione

6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64879937) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64879937
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O2/c1-15(10-3-4-10)14(21)18-7-13(20)19(15)8-9-2-5-11(16)12(17)6-9/h2,5-6,10H,3-4,7-8H2,1H3,(H,18,21)
InChIKeyAYBKNGKEDKAUJY-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione (CID 64879937) is 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is AYBKNGKEDKAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-15(10-3-4-10)14(21)18-7-13(20)19(15)8-9-2-5-11(16)12(17)6-9/h2,5-6,10H,3-4,7-8H2,1H3,(H,18,21).
What are the key properties of 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 327.21 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64879937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).