N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide

C25H33F6N3O5 — CID 130216273

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)O[C@H](O)N1C[C@H](O)C[C@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H33F6N3O5/c1-23(2,3)39-22(38)34-13-18(35)12-19(34)21(37)33-6-4-14(5-7-33)8-20(36)32-17-10-15(24(26,27)28)9-16(11-17)25(29,30)31/h9-11,14,18-19,22,35,38H,4-8,12-13H2,1-3H3,(H,32,36)/t18-,19+,22+/m1/s1
InChIKeyHUZNIKLZJWSKHY-DXIQSLLYSA-N
MW569.54 g/mol
LogP3.82
Rot. Bonds6

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide (PubChem CID 130216273) has the molecular formula C25H33F6N3O5 and a molecular weight of 569.54 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
PubChem CID130216273
Molecular FormulaC25H33F6N3O5
Molecular Weight569.54 g/mol
Exact Mass569.23
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)O[C@H](O)N1C[C@H](O)C[C@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H33F6N3O5/c1-23(2,3)39-22(38)34-13-18(35)12-19(34)21(37)33-6-4-14(5-7-33)8-20(36)32-17-10-15(24(26,27)28)9-16(11-17)25(29,30)31/h9-11,14,18-19,22,35,38H,4-8,12-13H2,1-3H3,(H,32,36)/t18-,19+,22+/m1/s1
InChIKeyHUZNIKLZJWSKHY-DXIQSLLYSA-N
XLogP3.82
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.54
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide 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-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide
CID 130216413
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide
CID 88868071
2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 51038641
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[hydroxy-[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]cyclohexyl]acetamide
CID 162600889
tert-butyl N-[4-[4-[2-[3-(fluoromethyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-1-carbonyl]oxan-4-yl]carbamate
CID 67567747
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119646337
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 97244489
1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 152847646
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119544756
1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073677
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide (CID 130216273) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide is CC(C)(C)O[C@H](O)N1C[C@H](O)C[C@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is HUZNIKLZJWSKHY-DXIQSLLYSA-N. The full InChI is InChI=1S/C25H33F6N3O5/c1-23(2,3)39-22(38)34-13-18(35)12-19(34)21(37)33-6-4-14(5-7-33)8-20(36)32-17-10-15(24(26,27)28)9-16(11-17)25(29,30)31/h9-11,14,18-19,22,35,38H,4-8,12-13H2,1-3H3,(H,32,36)/t18-,19+,22+/m1/s1.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 569.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 130216273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).