(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C23H26FN3O2 — CID 4897477

IUPAC(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1c(C)c(C(=O)N2CCN(c3ccccc3F)CC2)c2cc(OC)ccc21
InChIInChI=1S/C23H26FN3O2/c1-4-27-16(2)22(18-15-17(29-3)9-10-20(18)27)23(28)26-13-11-25(12-14-26)21-8-6-5-7-19(21)24/h5-10,15H,4,11-14H2,1-3H3
InChIKeyFBLRXBYGFZSNBP-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.08
Rot. Bonds4

About (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 4897477) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID4897477
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1c(C)c(C(=O)N2CCN(c3ccccc3F)CC2)c2cc(OC)ccc21
InChIInChI=1S/C23H26FN3O2/c1-4-27-16(2)22(18-15-17(29-3)9-10-20(18)27)23(28)26-13-11-25(12-14-26)21-8-6-5-7-19(21)24/h5-10,15H,4,11-14H2,1-3H3
InChIKeyFBLRXBYGFZSNBP-UHFFFAOYSA-N
XLogP4.08
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[1-(3-chloropropyl)-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 129186965
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
[1-[3-(diethylamino)propyl]-5-methoxy-2-methylindol-3-yl]-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 129186935
(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 589845
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50846112
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
ethyl 1-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,5-dimethylpyrrole-2-carboxylate
CID 20879074

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 4897477) is (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCn1c(C)c(C(=O)N2CCN(c3ccccc3F)CC2)c2cc(OC)ccc21.
What is the InChIKey of (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FBLRXBYGFZSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-4-27-16(2)22(18-15-17(29-3)9-10-20(18)27)23(28)26-13-11-25(12-14-26)21-8-6-5-7-19(21)24/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 395.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methoxy-2-methylindol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4897477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).