(3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane

C35H52ClF4N3O — CID 144968555

IUPAC(3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane
SMILESCCC(CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(C)CC2)CC1)c1ccc(Cl)cc1.CCNC(C)C.CF
InChIInChI=1S/C29H36ClF3N2O.C5H13N.CH3F/c1-3-21(22-4-7-25(30)8-5-22)18-28(36)35-16-12-23(13-17-35)26-9-6-24(29(31,32)33)19-27(26)34-14-10-20(2)11-15-34;1-4-6-5(2)3;1-2/h4-9,19-21,23H,3,10-18H2,1-2H3;5-6H,4H2,1-3H3;1H3
InChIKeyYUHMDRZMRRUSMD-UHFFFAOYSA-N
MW642.27 g/mol
LogP9.48
Rot. Bonds8

About (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane

(3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane (PubChem CID 144968555) has the molecular formula C35H52ClF4N3O and a molecular weight of 642.27 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane
PubChem CID144968555
Molecular FormulaC35H52ClF4N3O
Molecular Weight642.27 g/mol
Exact Mass641.37
IUPAC Name(3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane
SMILESCCC(CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(C)CC2)CC1)c1ccc(Cl)cc1.CCNC(C)C.CF
InChIInChI=1S/C29H36ClF3N2O.C5H13N.CH3F/c1-3-21(22-4-7-25(30)8-5-22)18-28(36)35-16-12-23(13-17-35)26-9-6-24(29(31,32)33)19-27(26)34-14-10-20(2)11-15-34;1-4-6-5(2)3;1-2/h4-9,19-21,23H,3,10-18H2,1-2H3;5-6H,4H2,1-3H3;1H3
InChIKeyYUHMDRZMRRUSMD-UHFFFAOYSA-N
XLogP9.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.27
LogP ≤ 59.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane 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

3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]benzamide
CID 44305248
N-[(2R)-1-[4-[2-[(1S)-1-amino-3-methylbutyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 44434550
N-{3-[1-(3-{[bis(4-chlorophenyl)acetyl]amino}propyl)-4-piperidinyl]phenyl}-2-methylpropanamide
CID 10325618
(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}-piperazin-1-yl)-3-(4-chloro-benzyl)-N-(2-fluoro-benzyl)-4-oxo-butyramide
CID 44349469
1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(4-chlorophenyl)-2-methylpropan-1-one
CID 44415965
(S)-1-(4-(2-(1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(4-chlorophenyl)-2,2-dimethylpropan-1-one
CID 44447207
1-{2-[(1S)-Amino-2-methylpropyl]-6-fluorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]-piperazine
CID 44577054
3-(4'-Chloro-biphenyl-4-yl)-n-(4-piperidin-1-ylmethyl-phenyl)-propionamide
CID 59691557
N-tert-butyl-1-[[3-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72703843
3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N-phenyl-propionamide
CID 11233617
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11295737
(1S)-(2-{4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]-1-piperazinyl}-5-methylphenyl)-3-methylbutylamine
CID 16046215

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane?
The IUPAC name of (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane (CID 144968555) is (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane is CCC(CC(=O)N1CCC(c2ccc(C(F)(F)F)cc2N2CCC(C)CC2)CC1)c1ccc(Cl)cc1.CCNC(C)C.CF.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane?
The InChIKey is YUHMDRZMRRUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClF3N2O.C5H13N.CH3F/c1-3-21(22-4-7-25(30)8-5-22)18-28(36)35-16-12-23(13-17-35)26-9-6-24(29(31,32)33)19-27(26)34-14-10-20(2)11-15-34;1-4-6-5(2)3;1-2/h4-9,19-21,23H,3,10-18H2,1-2H3;5-6H,4H2,1-3H3;1H3.
What are the key properties of (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane?
(3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane has a molecular weight of 642.27 g/mol, XLogP of 9.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-1-[4-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]piperidin-1-yl]pentan-1-one;N-ethylpropan-2-amine;fluoromethane is sourced from PubChem (CID 144968555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).