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

C24H31F3N2O3 — CID 55997592

IUPACpiperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1)N1CCCCC1
InChIInChI=1S/C24H31F3N2O3/c25-24(26,27)20-6-4-5-19(17-20)23(9-15-32-16-10-23)22(31)29-13-7-18(8-14-29)21(30)28-11-2-1-3-12-28/h4-6,17-18H,1-3,7-16H2
InChIKeyFRJAJAYBTVMLBH-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.00
Rot. Bonds3

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

piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone (PubChem CID 55997592) has the molecular formula C24H31F3N2O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
PubChem CID55997592
Molecular FormulaC24H31F3N2O3
Molecular Weight452.52 g/mol
Exact Mass452.23
IUPAC Namepiperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1)N1CCCCC1
InChIInChI=1S/C24H31F3N2O3/c25-24(26,27)20-6-4-5-19(17-20)23(9-15-32-16-10-23)22(31)29-13-7-18(8-14-29)21(30)28-11-2-1-3-12-28/h4-6,17-18H,1-3,7-16H2
InChIKeyFRJAJAYBTVMLBH-UHFFFAOYSA-N
XLogP4.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-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-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
CID 56575500
N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
CID 47088076
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 86975378
azepan-1-yl-[1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 55607122
azepan-1-yl-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 26500737
(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703170
(3R)-1-[4-(3-bromophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125149574

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone (CID 55997592) is piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone is O=C(C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone?
The InChIKey is FRJAJAYBTVMLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O3/c25-24(26,27)20-6-4-5-19(17-20)23(9-15-32-16-10-23)22(31)29-13-7-18(8-14-29)21(30)28-11-2-1-3-12-28/h4-6,17-18H,1-3,7-16H2.
What are the key properties of piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone?
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone has a molecular weight of 452.52 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55997592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).