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

C14H17ClN2O2 — CID 64880938

IUPAC1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-2-3-12-14(19)17(9-13(18)16-12)8-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyUZZYWMZEZJMBGV-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.97
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64880938) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64880938
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H17ClN2O2/c1-2-3-12-14(19)17(9-13(18)16-12)8-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyUZZYWMZEZJMBGV-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione (CID 64880938) is 1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is UZZYWMZEZJMBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-3-12-14(19)17(9-13(18)16-12)8-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione?
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 280.75 g/mol, XLogP of 1.97, 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-propylpiperazine-2,5-dione is sourced from PubChem (CID 64880938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).