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

C15H19ClN2O2 — CID 64873550

IUPAC1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2/c1-3-6-13-15(20)18(10(2)14(19)17-13)9-11-7-4-5-8-12(11)16/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,17,19)
InChIKeyVWTXUZWCYRULCH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.36
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64873550) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64873550
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C15H19ClN2O2/c1-3-6-13-15(20)18(10(2)14(19)17-13)9-11-7-4-5-8-12(11)16/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,17,19)
InChIKeyVWTXUZWCYRULCH-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione (CID 64873550) is 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is VWTXUZWCYRULCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-6-13-15(20)18(10(2)14(19)17-13)9-11-7-4-5-8-12(11)16/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,17,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione?
1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 294.78 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64873550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).