[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone

C20H17F6NO — CID 44765726

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H17F6NO/c21-19(22,23)16-10-15(11-17(12-16)20(24,25)26)18(28)27-8-6-14(7-9-27)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2
InChIKeyAVTKOVGLYPWBJG-UHFFFAOYSA-N
MW401.35 g/mol
LogP5.74
Rot. Bonds2

About [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone

[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 44765726) has the molecular formula C20H17F6NO and a molecular weight of 401.35 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID44765726
Molecular FormulaC20H17F6NO
Molecular Weight401.35 g/mol
Exact Mass401.12
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H17F6NO/c21-19(22,23)16-10-15(11-17(12-16)20(24,25)26)18(28)27-8-6-14(7-9-27)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2
InChIKeyAVTKOVGLYPWBJG-UHFFFAOYSA-N
XLogP5.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.35
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-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

Related Compounds

[4-[(3S,4R)-1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenylpiperidin-4-yl]piperazin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 87993067
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(4-chlorophenyl)-4-phenylpiperidin-1-yl]methanone
CID 87910244
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenylpiperidin-4-yl]pyrrolidin-3-one
CID 10163079
N-(4-phenylcyclohexyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55594757
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(4-morpholin-4-ylphenyl)-4-phenylpiperidin-1-yl]methanone
CID 87992886
[3,5-bis(trifluoromethyl)phenyl]-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]methanone
CID 46097776
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
N-benzyl-1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693650
1-[4-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenylpiperidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 10210889
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone (CID 44765726) is [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is AVTKOVGLYPWBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6NO/c21-19(22,23)16-10-15(11-17(12-16)20(24,25)26)18(28)27-8-6-14(7-9-27)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 401.35 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 44765726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).