1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione

C17H14F2N2O2 — CID 167998872

IUPAC1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(c2cccc(F)c2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O2/c18-13-6-4-12(5-7-13)11-20-8-9-21(17(23)16(20)22)15-3-1-2-14(19)10-15/h1-7,10H,8-9,11H2
InChIKeyMQYQEHOJSWCRFC-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.34
Rot. Bonds3

About 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione

1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione (PubChem CID 167998872) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
PubChem CID167998872
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(c2cccc(F)c2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O2/c18-13-6-4-12(5-7-13)11-20-8-9-21(17(23)16(20)22)15-3-1-2-14(19)10-15/h1-7,10H,8-9,11H2
InChIKeyMQYQEHOJSWCRFC-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84788522
2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131660592
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
1-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]piperazine-2,3-dione
CID 167997631
N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
CID 53135565
(5S)-9-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373517
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135578
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
4-[1-(3-fluorophenyl)-6-oxopiperidine-3-carbonyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 167826168

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione (CID 167998872) is 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione is O=C1C(=O)N(c2cccc(F)c2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione?
The InChIKey is MQYQEHOJSWCRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-13-6-4-12(5-7-13)11-20-8-9-21(17(23)16(20)22)15-3-1-2-14(19)10-15/h1-7,10H,8-9,11H2.
What are the key properties of 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione?
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione has a molecular weight of 316.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 167998872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).