(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C20H20FN3O2 — CID 4912133

IUPAC(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C20H20FN3O2/c1-26-19-5-3-2-4-18(19)23-8-10-24(11-9-23)20(25)17-13-14-12-15(21)6-7-16(14)22-17/h2-7,12-13,22H,8-11H2,1H3
InChIKeyPTGSHGNFKZNBNV-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.28
Rot. Bonds3

About (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 4912133) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID4912133
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C20H20FN3O2/c1-26-19-5-3-2-4-18(19)23-8-10-24(11-9-23)20(25)17-13-14-12-15(21)6-7-16(14)22-17/h2-7,12-13,22H,8-11H2,1H3
InChIKeyPTGSHGNFKZNBNV-UHFFFAOYSA-N
XLogP3.28
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 4912133) is (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is PTGSHGNFKZNBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-19-5-3-2-4-18(19)23-8-10-24(11-9-23)20(25)17-13-14-12-15(21)6-7-16(14)22-17/h2-7,12-13,22H,8-11H2,1H3.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 353.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4912133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).