1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione

C14H16ClFN2O2 — CID 103050932

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2O2/c1-2-3-12-14(20)17-7-13(19)18(12)8-9-6-10(15)4-5-11(9)16/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)
InChIKeyXNSIJTQMERAXDW-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.11
Rot. Bonds4

About 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione

1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione (PubChem CID 103050932) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
PubChem CID103050932
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2O2/c1-2-3-12-14(20)17-7-13(19)18(12)8-9-6-10(15)4-5-11(9)16/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)
InChIKeyXNSIJTQMERAXDW-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64880051
6-propyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64879861
1-ethyl-6-propylpiperazine-2,5-dione
CID 64881606
1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
CID 64880826
1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64878706
6-propyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645045
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64881604
1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
CID 64878924
1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 64971367
6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
CID 64879658
1-[(4-bromo-2-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879480
1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 65331442

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione (CID 103050932) is 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione?
The InChIKey is XNSIJTQMERAXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-2-3-12-14(20)17-7-13(19)18(12)8-9-6-10(15)4-5-11(9)16/h4-6,12H,2-3,7-8H2,1H3,(H,17,20).
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione?
1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione has a molecular weight of 298.75 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 103050932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).