2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one

C26H36FN3O4 — CID 91190502

IUPAC2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one
SMILESO=C(CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1)CN1CC2CC(=O)C(O)CC2C1
InChIInChI=1S/C26H36FN3O4/c27-20-5-6-26(34-22-3-1-2-4-22)23(13-20)30-9-7-28(8-10-30)16-21(31)17-29-14-18-11-24(32)25(33)12-19(18)15-29/h5-6,13,18-19,22,24,32H,1-4,7-12,14-17H2
InChIKeyVDYAMYFTIRCBOG-UHFFFAOYSA-N
MW473.59 g/mol
LogP2.11
Rot. Bonds7

About 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one

2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one (PubChem CID 91190502) has the molecular formula C26H36FN3O4 and a molecular weight of 473.59 g/mol. Its IUPAC name is 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one.

Molecular Properties

Compound Name2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one
PubChem CID91190502
Molecular FormulaC26H36FN3O4
Molecular Weight473.59 g/mol
Exact Mass473.27
IUPAC Name2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one
SMILESO=C(CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1)CN1CC2CC(=O)C(O)CC2C1
InChIInChI=1S/C26H36FN3O4/c27-20-5-6-26(34-22-3-1-2-4-22)23(13-20)30-9-7-28(8-10-30)16-21(31)17-29-14-18-11-24(32)25(33)12-19(18)15-29/h5-6,13,18-19,22,24,32H,1-4,7-12,14-17H2
InChIKeyVDYAMYFTIRCBOG-UHFFFAOYSA-N
XLogP2.11
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one with MolForge

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Related Compounds

1-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-3-(1,3-dihydroxy-4,7-dihydroisoindol-2-yl)propan-2-one
CID 91251750
but-2-enedioic acid;2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 69408070
2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11684301
1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-diol
CID 90924333
1-(2-cyclohexyloxy-5-fluorophenyl)-4-methylpyrrolidin-3-one
CID 151959248
6-fluoro-2-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one
CID 91579538
[2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1,3,6-trihydroxy-4,5,6,7-tetrahydroisoindol-5-yl] dihydrogen phosphate
CID 91091640
[2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-6-fluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-5-yl] dihydrogen phosphate
CID 15985660
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-5-fluoro-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11691378
1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
CID 63936921
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 69078029
2-[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide
CID 5092280

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one?
The IUPAC name of 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one (CID 91190502) is 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one.
What is the SMILES notation for 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one?
The canonical SMILES for 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one is O=C(CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1)CN1CC2CC(=O)C(O)CC2C1.
What is the InChIKey of 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one?
The InChIKey is VDYAMYFTIRCBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O4/c27-20-5-6-26(34-22-3-1-2-4-22)23(13-20)30-9-7-28(8-10-30)16-21(31)17-29-14-18-11-24(32)25(33)12-19(18)15-29/h5-6,13,18-19,22,24,32H,1-4,7-12,14-17H2.
What are the key properties of 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one?
2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one has a molecular weight of 473.59 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]-2-oxopropyl]-6-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one is sourced from PubChem (CID 91190502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).