N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

C29H33Cl2F3N4O4 — CID 68930171

IUPACN-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(C(=O)C2CCN(C(=O)C(C)(C)O)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H33Cl2F3N4O4/c1-28(2,42)27(41)37-11-8-17(9-12-37)25(39)38-13-10-24(20(16-38)18-4-6-21(30)22(31)14-18)36(3)26(40)23-7-5-19(15-35-23)29(32,33)34/h4-7,14-15,17,20,24,42H,8-13,16H2,1-3H3/t20-,24+/m0/s1
InChIKeyLWGLEKLGGUCCEO-GBXCKJPGSA-N
MW629.51 g/mol
LogP4.87
Rot. Bonds5

About N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide

N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 68930171) has the molecular formula C29H33Cl2F3N4O4 and a molecular weight of 629.51 g/mol. Its IUPAC name is N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID68930171
Molecular FormulaC29H33Cl2F3N4O4
Molecular Weight629.51 g/mol
Exact Mass628.18
IUPAC NameN-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(C(=O)C2CCN(C(=O)C(C)(C)O)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H33Cl2F3N4O4/c1-28(2,42)27(41)37-11-8-17(9-12-37)25(39)38-13-10-24(20(16-38)18-4-6-21(30)22(31)14-18)36(3)26(40)23-7-5-19(15-35-23)29(32,33)34/h4-7,14-15,17,20,24,42H,8-13,16H2,1-3H3/t20-,24+/m0/s1
InChIKeyLWGLEKLGGUCCEO-GBXCKJPGSA-N
XLogP4.87
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 68930171) is N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is CN(C(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(C(=O)C2CCN(C(=O)C(C)(C)O)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LWGLEKLGGUCCEO-GBXCKJPGSA-N. The full InChI is InChI=1S/C29H33Cl2F3N4O4/c1-28(2,42)27(41)37-11-8-17(9-12-37)25(39)38-13-10-24(20(16-38)18-4-6-21(30)22(31)14-18)36(3)26(40)23-7-5-19(15-35-23)29(32,33)34/h4-7,14-15,17,20,24,42H,8-13,16H2,1-3H3/t20-,24+/m0/s1.
What are the key properties of N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 629.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-hydroxy-2-methylpropanoyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 68930171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).