[3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C25H25ClF6N2O2 — CID 10230410

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCC(O)CC2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H25ClF6N2O2/c26-19-3-1-15(2-4-19)21-14-34(10-7-22(21)33-8-5-20(35)6-9-33)23(36)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h1-4,11-13,20-22,35H,5-10,14H2
InChIKeyXMTJDJMDHQECBI-UHFFFAOYSA-N
MW534.93 g/mol
LogP5.83
Rot. Bonds3

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

[3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 10230410) has the molecular formula C25H25ClF6N2O2 and a molecular weight of 534.93 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID10230410
Molecular FormulaC25H25ClF6N2O2
Molecular Weight534.93 g/mol
Exact Mass534.15
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCC(O)CC2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H25ClF6N2O2/c26-19-3-1-15(2-4-19)21-14-34(10-7-22(21)33-8-5-20(35)6-9-33)23(36)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h1-4,11-13,20-22,35H,5-10,14H2
InChIKeyXMTJDJMDHQECBI-UHFFFAOYSA-N
XLogP5.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.93
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-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

N-[(3R,4R)-1-[(1-acetylpiperidin-4-yl)carbonyl]-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 42611207
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-(3-phenylphenyl)methanone
CID 24817881
N-[2-(3,4-Dichloro-phenyl)-4-(4-hydroxy-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44309946
US11608347, Example 13
CID 138740489
US11608347, Example 16
CID 139307055
US11608347, Example 24
CID 139307696
[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 24791376
(1-(4-Chloro-3-(trifluoromethyl)benzoyl)piperidin-4-yl)(4-fluorophenyl)methanone
CID 46906132
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4R)-3-(4-chlorophenyl)-4-morpholin-4-ylpiperidin-1-yl]methanone
CID 57393525
(-)-(3,5-Bis-trifluoromethyl-phenyl)-[3-(4-chloro-phenyl)-4-(4-cyclopropylmethyl-piperazin-1-yl)-piperidin-1-yl]-methanone
CID 9851092
N-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]butanamide
CID 21220195
(4-Chlorophenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 162656397

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 10230410) is [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCC(O)CC2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is XMTJDJMDHQECBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF6N2O2/c26-19-3-1-15(2-4-19)21-14-34(10-7-22(21)33-8-5-20(35)6-9-33)23(36)16-11-17(24(27,28)29)13-18(12-16)25(30,31)32/h1-4,11-13,20-22,35H,5-10,14H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
[3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 534.93 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[3-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 10230410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).