[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C23H23F3N2O — CID 170857355

IUPAC[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H23F3N2O/c1-27-13-5-4-6-18(27)14-28-15-20(19-7-2-3-8-21(19)28)22(29)16-9-11-17(12-10-16)23(24,25)26/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyYNRABCHBEREMMS-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.38
Rot. Bonds4

About [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 170857355) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID170857355
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCN1CCCCC1Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H23F3N2O/c1-27-13-5-4-6-18(27)14-28-15-20(19-7-2-3-8-21(19)28)22(29)16-9-11-17(12-10-16)23(24,25)26/h2-3,7-12,15,18H,4-6,13-14H2,1H3
InChIKeyYNRABCHBEREMMS-UHFFFAOYSA-N
XLogP5.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]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 [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 170857355) is [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone is CN1CCCCC1Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is YNRABCHBEREMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c1-27-13-5-4-6-18(27)14-28-15-20(19-7-2-3-8-21(19)28)22(29)16-9-11-17(12-10-16)23(24,25)26/h2-3,7-12,15,18H,4-6,13-14H2,1H3.
What are the key properties of [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 400.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170857355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).