[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

C28H27ClFN3O2 — CID 155513357

IUPAC[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4n3Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H27ClFN3O2/c1-35-25-9-4-20(5-10-25)18-31-12-14-32(15-13-31)28(34)27-17-22-16-23(29)6-11-26(22)33(27)19-21-2-7-24(30)8-3-21/h2-11,16-17H,12-15,18-19H2,1H3
InChIKeyXVHVZESNKQODLO-UHFFFAOYSA-N
MW491.99 g/mol
LogP5.45
Rot. Bonds6

About [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 155513357) has the molecular formula C28H27ClFN3O2 and a molecular weight of 491.99 g/mol. Its IUPAC name is [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID155513357
Molecular FormulaC28H27ClFN3O2
Molecular Weight491.99 g/mol
Exact Mass491.18
IUPAC Name[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4n3Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H27ClFN3O2/c1-35-25-9-4-20(5-10-25)18-31-12-14-32(15-13-31)28(34)27-17-22-16-23(29)6-11-26(22)33(27)19-21-2-7-24(30)8-3-21/h2-11,16-17H,12-15,18-19H2,1H3
InChIKeyXVHVZESNKQODLO-UHFFFAOYSA-N
XLogP5.45
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.99
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 155513357) is [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4n3Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XVHVZESNKQODLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN3O2/c1-35-25-9-4-20(5-10-25)18-31-12-14-32(15-13-31)28(34)27-17-22-16-23(29)6-11-26(22)33(27)19-21-2-7-24(30)8-3-21/h2-11,16-17H,12-15,18-19H2,1H3.
What are the key properties of [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone?
[5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 491.99 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155513357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).