N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide

C19H18FN3O3 — CID 110669940

IUPACN-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(24)22-16-8-4-14(5-9-16)19(26)23-11-10-21-18(25)17(23)13-2-6-15(20)7-3-13/h2-9,17H,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyKOYUZQHMKGNZPS-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.10
Rot. Bonds3

About N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide

N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide (PubChem CID 110669940) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
PubChem CID110669940
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O3/c1-12(24)22-16-8-4-14(5-9-16)19(26)23-11-10-21-18(25)17(23)13-2-6-15(20)7-3-13/h2-9,17H,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyKOYUZQHMKGNZPS-UHFFFAOYSA-N
XLogP2.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
3-(4-fluorophenyl)-4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-2-one
CID 110425972
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72885693
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110669930
N-cyclohexyl-2-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 110428510

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide (CID 110669940) is N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is KOYUZQHMKGNZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12(24)22-16-8-4-14(5-9-16)19(26)23-11-10-21-18(25)17(23)13-2-6-15(20)7-3-13/h2-9,17H,10-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide?
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110669940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).