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

C14H14Cl2N2O2 — CID 64881630

IUPAC6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2c(Cl)cccc2Cl)C1C1CC1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-2-1-3-11(16)9(10)7-18-12(19)6-17-14(20)13(18)8-4-5-8/h1-3,8,13H,4-7H2,(H,17,20)
InChIKeyPQDPEQQMLHUFRE-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.23
Rot. Bonds3

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

6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione (PubChem CID 64881630) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
PubChem CID64881630
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2c(Cl)cccc2Cl)C1C1CC1
InChIInChI=1S/C14H14Cl2N2O2/c15-10-2-1-3-11(16)9(10)7-18-12(19)6-17-14(20)13(18)8-4-5-8/h1-3,8,13H,4-7H2,(H,17,20)
InChIKeyPQDPEQQMLHUFRE-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione (CID 64881630) is 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione is O=C1NCC(=O)N(Cc2c(Cl)cccc2Cl)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
The InChIKey is PQDPEQQMLHUFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-10-2-1-3-11(16)9(10)7-18-12(19)6-17-14(20)13(18)8-4-5-8/h1-3,8,13H,4-7H2,(H,17,20).
What are the key properties of 6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione?
6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]piperazine-2,5-dione has a molecular weight of 313.18 g/mol, XLogP of 2.23, 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]piperazine-2,5-dione is sourced from PubChem (CID 64881630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).