1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide

C24H29F3N6O2 — CID 163560947

IUPAC1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cnc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cn2)CCC1=O
InChIInChI=1S/C24H29F3N6O2/c1-32-15-16(2-7-22(32)34)23(35)30-13-19-12-29-21(14-28-19)31-18-3-5-20(6-4-18)33-10-8-17(9-11-33)24(25,26)27/h3-6,12,14,16-17H,2,7-11,13,15H2,1H3,(H,29,31)(H,30,35)
InChIKeyFREDHWKIGNGRCL-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.48
Rot. Bonds6

About 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide

1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 163560947) has the molecular formula C24H29F3N6O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide
PubChem CID163560947
Molecular FormulaC24H29F3N6O2
Molecular Weight490.53 g/mol
Exact Mass490.23
IUPAC Name1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide
SMILESCN1CC(C(=O)NCc2cnc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cn2)CCC1=O
InChIInChI=1S/C24H29F3N6O2/c1-32-15-16(2-7-22(32)34)23(35)30-13-19-12-29-21(14-28-19)31-18-3-5-20(6-4-18)33-10-8-17(9-11-33)24(25,26)27/h3-6,12,14,16-17H,2,7-11,13,15H2,1H3,(H,29,31)(H,30,35)
InChIKeyFREDHWKIGNGRCL-UHFFFAOYSA-N
XLogP3.48
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-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 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide (CID 163560947) is 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide is CN1CC(C(=O)NCc2cnc(Nc3ccc(N4CCC(C(F)(F)F)CC4)cc3)cn2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is FREDHWKIGNGRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6O2/c1-32-15-16(2-7-22(32)34)23(35)30-13-19-12-29-21(14-28-19)31-18-3-5-20(6-4-18)33-10-8-17(9-11-33)24(25,26)27/h3-6,12,14,16-17H,2,7-11,13,15H2,1H3,(H,29,31)(H,30,35).
What are the key properties of 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide?
1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[[5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]pyrazin-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 163560947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).