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

C15H16Cl2N2O2 — CID 107310580

IUPAC6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-15(10-5-6-10)14(21)18-7-12(20)19(15)8-9-3-2-4-11(16)13(9)17/h2-4,10H,5-8H2,1H3,(H,18,21)
InChIKeyAPUCPDKOURBAGY-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.62
Rot. Bonds3

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

6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 107310580) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID107310580
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-15(10-5-6-10)14(21)18-7-12(20)19(15)8-9-3-2-4-11(16)13(9)17/h2-4,10H,5-8H2,1H3,(H,18,21)
InChIKeyAPUCPDKOURBAGY-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-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione (CID 107310580) is 6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is APUCPDKOURBAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-15(10-5-6-10)14(21)18-7-12(20)19(15)8-9-3-2-4-11(16)13(9)17/h2-4,10H,5-8H2,1H3,(H,18,21).
What are the key properties of 6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[(2,3-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-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 107310580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).