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

C14H17ClN2O2 — CID 64880110

IUPAC1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-3-14(2)13(19)16-8-12(18)17(14)9-10-5-4-6-11(15)7-10/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyGREPQRPQFBVMDZ-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.97
Rot. Bonds3

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

1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64880110) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64880110
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c1-3-14(2)13(19)16-8-12(18)17(14)9-10-5-4-6-11(15)7-10/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyGREPQRPQFBVMDZ-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione (CID 64880110) is 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NCC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is GREPQRPQFBVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-14(2)13(19)16-8-12(18)17(14)9-10-5-4-6-11(15)7-10/h4-7H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 280.75 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64880110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).