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

C23H28ClN3O2 — CID 10597866

IUPAC5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)Cc3cc(Cl)ccc32)CC1
InChIInChI=1S/C23H28ClN3O2/c1-29-22-7-3-2-6-21(22)26-14-12-25(13-15-26)10-4-5-11-27-20-9-8-19(24)16-18(20)17-23(27)28/h2-3,6-9,16H,4-5,10-15,17H2,1H3
InChIKeyGHKGSDHAJGCGDN-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.84
Rot. Bonds7

About 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one

5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one (PubChem CID 10597866) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
PubChem CID10597866
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)Cc3cc(Cl)ccc32)CC1
InChIInChI=1S/C23H28ClN3O2/c1-29-22-7-3-2-6-21(22)26-14-12-25(13-15-26)10-4-5-11-27-20-9-8-19(24)16-18(20)17-23(27)28/h2-3,6-9,16H,4-5,10-15,17H2,1H3
InChIKeyGHKGSDHAJGCGDN-UHFFFAOYSA-N
XLogP3.84
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.84
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

6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10644504
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
CID 11740820
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 54755411
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
(2S)-8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,5-benzothiazepin-4-one
CID 70052686
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The IUPAC name of 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one (CID 10597866) is 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one.
What is the SMILES notation for 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The canonical SMILES for 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one is COc1ccccc1N1CCN(CCCCN2C(=O)Cc3cc(Cl)ccc32)CC1.
What is the InChIKey of 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The InChIKey is GHKGSDHAJGCGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-29-22-7-3-2-6-21(22)26-14-12-25(13-15-26)10-4-5-11-27-20-9-8-19(24)16-18(20)17-23(27)28/h2-3,6-9,16H,4-5,10-15,17H2,1H3.
What are the key properties of 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one has a molecular weight of 413.95 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one is sourced from PubChem (CID 10597866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).