1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione

C15H19ClN2O2 — CID 64874078

IUPAC1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-4-13-14(19)17-10(2)15(20)18(13)9-11-5-7-12(16)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyGTAHJLNUKHUGLL-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.36
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione

1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione (PubChem CID 64874078) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione
PubChem CID64874078
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-3-4-13-14(19)17-10(2)15(20)18(13)9-11-5-7-12(16)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyGTAHJLNUKHUGLL-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-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione (CID 64874078) is 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione?
The InChIKey is GTAHJLNUKHUGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-4-13-14(19)17-10(2)15(20)18(13)9-11-5-7-12(16)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione?
1-[(4-chlorophenyl)methyl]-3-methyl-6-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-[(4-chlorophenyl)methyl]-3-methyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64874078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).