[4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

C23H26FN3O2 — CID 141331118

IUPAC[4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(OCCF)cc3)CC2)cc2ccccc21
InChIInChI=1S/C23H26FN3O2/c1-25-21-5-3-2-4-19(21)16-22(25)23(28)27-13-11-26(12-14-27)17-18-6-8-20(9-7-18)29-15-10-24/h2-9,16H,10-15,17H2,1H3
InChIKeyJSMPAMQFCSFPEE-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.48
Rot. Bonds6

About [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

[4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 141331118) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID141331118
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(Cc3ccc(OCCF)cc3)CC2)cc2ccccc21
InChIInChI=1S/C23H26FN3O2/c1-25-21-5-3-2-4-19(21)16-22(25)23(28)27-13-11-26(12-14-27)17-18-6-8-20(9-7-18)29-15-10-24/h2-9,16H,10-15,17H2,1H3
InChIKeyJSMPAMQFCSFPEE-UHFFFAOYSA-N
XLogP3.48
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (CID 141331118) is [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCN(Cc3ccc(OCCF)cc3)CC2)cc2ccccc21.
What is the InChIKey of [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is JSMPAMQFCSFPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-25-21-5-3-2-4-19(21)16-22(25)23(28)27-13-11-26(12-14-27)17-18-6-8-20(9-7-18)29-15-10-24/h2-9,16H,10-15,17H2,1H3.
What are the key properties of [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
[4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 395.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 141331118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).