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

C12H12Cl2N2O2 — CID 64881311

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-7-12(18)16(6-11(17)15-7)5-8-9(13)3-2-4-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17)
InChIKeyZXBREYSCOYNALC-UHFFFAOYSA-N
MW287.15 g/mol
LogP1.84
Rot. Bonds2

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

1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 64881311) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID64881311
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2c(Cl)cccc2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-7-12(18)16(6-11(17)15-7)5-8-9(13)3-2-4-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17)
InChIKeyZXBREYSCOYNALC-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ambenonium Chloride
CID 8288
Ambenonium
CID 2131
Uamc00039
CID 11232124
1-Benzyl-N-{3-[4-(2,6-Dichlorophenyl)piperidin-1-Yl]propyl}-D-Prolinamide
CID 25001412
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
Gsk1370319A
CID 67461788
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
N-(2-chlorobenzyl)butanamide
CID 885659
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione (CID 64881311) is 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(Cc2c(Cl)cccc2Cl)C1=O.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is ZXBREYSCOYNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-7-12(18)16(6-11(17)15-7)5-8-9(13)3-2-4-10(8)14/h2-4,7H,5-6H2,1H3,(H,15,17).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione?
1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 287.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64881311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).