N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

C31H33F3N4O3 — CID 174382009

IUPACN-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C31H33F3N4O3/c1-20-5-6-26(19-28(20)37-29(39)23-4-2-3-22(15-23)21-7-9-35-10-8-21)36-30(40)24-16-25(31(32,33)34)18-27(17-24)38-11-13-41-14-12-38/h2-6,15-19,21,35H,7-14H2,1H3,(H,36,40)(H,37,39)
InChIKeyMWRAGKOPWCGWME-UHFFFAOYSA-N
MW566.62 g/mol
LogP5.82
Rot. Bonds6

About N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 174382009) has the molecular formula C31H33F3N4O3 and a molecular weight of 566.62 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID174382009
Molecular FormulaC31H33F3N4O3
Molecular Weight566.62 g/mol
Exact Mass566.25
IUPAC NameN-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C2CCNCC2)c1
InChIInChI=1S/C31H33F3N4O3/c1-20-5-6-26(19-28(20)37-29(39)23-4-2-3-22(15-23)21-7-9-35-10-8-21)36-30(40)24-16-25(31(32,33)34)18-27(17-24)38-11-13-41-14-12-38/h2-6,15-19,21,35H,7-14H2,1H3,(H,36,40)(H,37,39)
InChIKeyMWRAGKOPWCGWME-UHFFFAOYSA-N
XLogP5.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
CID 142647198
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-(3-formamido-4-methylphenyl)-3-pyrrolidin-1-yl-5-(trifluoromethyl)benzamide
CID 130182759
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 44583657
N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 118334700
tert-butyl 4-[4-[[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 22291050
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
N-[4-methyl-3-[1-methyl-7-(methylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 11284323
N-[4-methyl-3-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 118887175
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 91479903

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (CID 174382009) is N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc1NC(=O)c1cccc(C2CCNCC2)c1.
What is the InChIKey of N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is MWRAGKOPWCGWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N4O3/c1-20-5-6-26(19-28(20)37-29(39)23-4-2-3-22(15-23)21-7-9-35-10-8-21)36-30(40)24-16-25(31(32,33)34)18-27(17-24)38-11-13-41-14-12-38/h2-6,15-19,21,35H,7-14H2,1H3,(H,36,40)(H,37,39).
What are the key properties of N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 566.62 g/mol, XLogP of 5.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 174382009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).