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

C14H16Cl2N2O2 — CID 64880051

IUPAC1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-3-12-14(20)17-7-13(19)18(12)8-9-4-5-10(15)11(16)6-9/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)
InChIKeyNMDWLFMNHFXQSU-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.62
Rot. Bonds4

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

1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione (PubChem CID 64880051) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
PubChem CID64880051
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-3-12-14(20)17-7-13(19)18(12)8-9-4-5-10(15)11(16)6-9/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)
InChIKeyNMDWLFMNHFXQSU-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione (CID 64880051) is 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione?
The InChIKey is NMDWLFMNHFXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-3-12-14(20)17-7-13(19)18(12)8-9-4-5-10(15)11(16)6-9/h4-6,12H,2-3,7-8H2,1H3,(H,17,20).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione?
1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione has a molecular weight of 315.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64880051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).