[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C28H25F3N2O — CID 25066524

IUPAC[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C28H25F3N2O/c29-28(30,31)23-12-10-22(11-13-23)27(34)32-16-14-21(15-17-32)25-19-33(18-20-6-2-1-3-7-20)26-9-5-4-8-24(25)26/h1-13,19,21H,14-18H2
InChIKeyBCNZSYADPLXGJJ-UHFFFAOYSA-N
MW462.52 g/mol
LogP6.73
Rot. Bonds4

About [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 25066524) has the molecular formula C28H25F3N2O and a molecular weight of 462.52 g/mol. Its IUPAC name is [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID25066524
Molecular FormulaC28H25F3N2O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC Name[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C28H25F3N2O/c29-28(30,31)23-12-10-22(11-13-23)27(34)32-16-14-21(15-17-32)25-19-33(18-20-6-2-1-3-7-20)26-9-5-4-8-24(25)26/h1-13,19,21H,14-18H2
InChIKeyBCNZSYADPLXGJJ-UHFFFAOYSA-N
XLogP6.73
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

[4-[1-[(3-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 46090026
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 69367148
3-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 46089924
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-[3-(methyliminomethyl)phenyl]methanone
CID 135268146
4-bromo-3-[[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 10185564
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
(7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 14403378
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
benzyl N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
CID 108567300
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 25066524) is [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2cn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is BCNZSYADPLXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O/c29-28(30,31)23-12-10-22(11-13-23)27(34)32-16-14-21(15-17-32)25-19-33(18-20-6-2-1-3-7-20)26-9-5-4-8-24(25)26/h1-13,19,21H,14-18H2.
What are the key properties of [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 462.52 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylindol-3-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 25066524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).