6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one

C23H28FN3O2 — CID 10644504

IUPAC6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccc(F)cc32)CC1
InChIInChI=1S/C23H28FN3O2/c1-29-22-7-3-2-6-20(22)26-14-12-25(13-15-26)10-4-5-11-27-21-17-19(24)9-8-18(21)16-23(27)28/h2-3,6-9,17H,4-5,10-16H2,1H3
InChIKeyPPBCEDRXOOFJFZ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.33
Rot. Bonds7

About 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one

6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one (PubChem CID 10644504) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one.

Molecular Properties

Compound Name6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
PubChem CID10644504
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccc(F)cc32)CC1
InChIInChI=1S/C23H28FN3O2/c1-29-22-7-3-2-6-20(22)26-14-12-25(13-15-26)10-4-5-11-27-21-17-19(24)9-8-18(21)16-23(27)28/h2-3,6-9,17H,4-5,10-16H2,1H3
InChIKeyPPBCEDRXOOFJFZ-UHFFFAOYSA-N
XLogP3.33
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 10692180
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 11440314
1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 54755411
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,4,6,6-tetramethylazepan-2-one
CID 139624835

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The IUPAC name of 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one (CID 10644504) is 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one.
What is the SMILES notation for 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The canonical SMILES for 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one is COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccc(F)cc32)CC1.
What is the InChIKey of 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The InChIKey is PPBCEDRXOOFJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-29-22-7-3-2-6-20(22)26-14-12-25(13-15-26)10-4-5-11-27-21-17-19(24)9-8-18(21)16-23(27)28/h2-3,6-9,17H,4-5,10-16H2,1H3.
What are the key properties of 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one has a molecular weight of 397.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one is sourced from PubChem (CID 10644504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).