(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one

C21H23FN2O2 — CID 93292545

IUPAC(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2=O)cc1
InChIInChI=1S/C21H23FN2O2/c1-14(2)16-6-10-19(11-7-16)24-13-12-23(15(3)20(24)25)21(26)17-4-8-18(22)9-5-17/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyIIOBBBWLDWXUGT-OAHLLOKOSA-N
MW354.43 g/mol
LogP3.83
Rot. Bonds3

About (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one

(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 93292545) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID93292545
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2=O)cc1
InChIInChI=1S/C21H23FN2O2/c1-14(2)16-6-10-19(11-7-16)24-13-12-23(15(3)20(24)25)21(26)17-4-8-18(22)9-5-17/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyIIOBBBWLDWXUGT-OAHLLOKOSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one (CID 93292545) is (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one is CC(C)c1ccc(N2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2=O)cc1.
What is the InChIKey of (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is IIOBBBWLDWXUGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14(2)16-6-10-19(11-7-16)24-13-12-23(15(3)20(24)25)21(26)17-4-8-18(22)9-5-17/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 354.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 93292545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).