4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one

C19H17Cl2FN2O2 — CID 166358962

IUPAC4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
SMILESO=C(Cc1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C19H17Cl2FN2O2/c20-15-6-14(7-16(21)10-15)9-18(25)24-5-4-23(19(26)12-24)11-13-2-1-3-17(22)8-13/h1-3,6-8,10H,4-5,9,11-12H2
InChIKeyYNAPLRQLIYJYQA-UHFFFAOYSA-N
MW395.26 g/mol
LogP3.55
Rot. Bonds4

About 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one

4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one (PubChem CID 166358962) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
PubChem CID166358962
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
SMILESO=C(Cc1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C19H17Cl2FN2O2/c20-15-6-14(7-16(21)10-15)9-18(25)24-5-4-23(19(26)12-24)11-13-2-1-3-17(22)8-13/h1-3,6-8,10H,4-5,9,11-12H2
InChIKeyYNAPLRQLIYJYQA-UHFFFAOYSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 119803556
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
CID 70710923
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
4-[[4-[(3-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023384
4-[2-amino-2-(4-methylphenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120668862
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one (CID 166358962) is 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one is O=C(Cc1cc(Cl)cc(Cl)c1)N1CCN(Cc2cccc(F)c2)C(=O)C1.
What is the InChIKey of 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is YNAPLRQLIYJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c20-15-6-14(7-16(21)10-15)9-18(25)24-5-4-23(19(26)12-24)11-13-2-1-3-17(22)8-13/h1-3,6-8,10H,4-5,9,11-12H2.
What are the key properties of 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 395.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 166358962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).