7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one

C22H24FN3O2 — CID 6619484

IUPAC7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one
SMILESCCCN1Cc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1=O
InChIInChI=1S/C22H24FN3O2/c1-2-10-26-15-16-4-3-5-19(20(16)22(26)28)21(27)25-13-11-24(12-14-25)18-8-6-17(23)7-9-18/h3-9H,2,10-15H2,1H3
InChIKeyCAYZQRITAQAMCE-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.15
Rot. Bonds4

About 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one

7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one (PubChem CID 6619484) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one
PubChem CID6619484
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one
SMILESCCCN1Cc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1=O
InChIInChI=1S/C22H24FN3O2/c1-2-10-26-15-16-4-3-5-19(20(16)22(26)28)21(27)25-13-11-24(12-14-25)18-8-6-17(23)7-9-18/h3-9H,2,10-15H2,1H3
InChIKeyCAYZQRITAQAMCE-UHFFFAOYSA-N
XLogP3.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one?
The IUPAC name of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one (CID 6619484) is 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one.
What is the SMILES notation for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one?
The canonical SMILES for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one is CCCN1Cc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1=O.
What is the InChIKey of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one?
The InChIKey is CAYZQRITAQAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-2-10-26-15-16-4-3-5-19(20(16)22(26)28)21(27)25-13-11-24(12-14-25)18-8-6-17(23)7-9-18/h3-9H,2,10-15H2,1H3.
What are the key properties of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one?
7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one has a molecular weight of 381.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one is sourced from PubChem (CID 6619484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).