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

C15H16Cl2N2O2 — CID 64879939

IUPAC6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-15(9-5-6-9)14(21)18-7-13(20)19(15)8-10-11(16)3-2-4-12(10)17/h2-4,9H,5-8H2,1H3,(H,18,21)
InChIKeyRRFXESCFGSZQNG-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.62
Rot. Bonds3

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

6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64879939) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64879939
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c1-15(9-5-6-9)14(21)18-7-13(20)19(15)8-10-11(16)3-2-4-12(10)17/h2-4,9H,5-8H2,1H3,(H,18,21)
InChIKeyRRFXESCFGSZQNG-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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Related Compounds

1-Benzyl-N-{3-[4-(2,6-Dichlorophenyl)piperidin-1-Yl]propyl}-D-Prolinamide
CID 25001412
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cyclopropanecarboxamide
CID 11580456
N-({1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl}methyl)-3,5-dichlorobenzamide
CID 25130556
(2S)-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49865007
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopropylacetamide
CID 57888690
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2128346
2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 5195773
N-(tert-butyl)-2-[1-(2-chloro-6-fluorobenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16190035
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 49865055
(2S)-1-benzyl-N-[3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl]pyrrolidine-2-carboxamide
CID 54581497

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione (CID 64879939) is 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is RRFXESCFGSZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-15(9-5-6-9)14(21)18-7-13(20)19(15)8-10-11(16)3-2-4-12(10)17/h2-4,9H,5-8H2,1H3,(H,18,21).
What are the key properties of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[(2,6-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-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64879939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).