N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide

C29H26F3N5O2 — CID 171678139

IUPACN-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)Nc2ccc(C3CCN(C(=O)c4cc(-n5ccnc5)ccn4)CC3)cc2)cccc1C(F)(F)F
InChIInChI=1S/C29H26F3N5O2/c1-19-24(3-2-4-25(19)29(30,31)32)27(38)35-22-7-5-20(6-8-22)21-10-14-36(15-11-21)28(39)26-17-23(9-12-34-26)37-16-13-33-18-37/h2-9,12-13,16-18,21H,10-11,14-15H2,1H3,(H,35,38)
InChIKeyMOWUMCQQGHTSFZ-UHFFFAOYSA-N
MW533.55 g/mol
LogP5.87
Rot. Bonds5

About N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide

N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide (PubChem CID 171678139) has the molecular formula C29H26F3N5O2 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
PubChem CID171678139
Molecular FormulaC29H26F3N5O2
Molecular Weight533.55 g/mol
Exact Mass533.20
IUPAC NameN-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)Nc2ccc(C3CCN(C(=O)c4cc(-n5ccnc5)ccn4)CC3)cc2)cccc1C(F)(F)F
InChIInChI=1S/C29H26F3N5O2/c1-19-24(3-2-4-25(19)29(30,31)32)27(38)35-22-7-5-20(6-8-22)21-10-14-36(15-11-21)28(39)26-17-23(9-12-34-26)37-16-13-33-18-37/h2-9,12-13,16-18,21H,10-11,14-15H2,1H3,(H,35,38)
InChIKeyMOWUMCQQGHTSFZ-UHFFFAOYSA-N
XLogP5.87
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[4-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino]-2-oxoethyl]benzamide
CID 171678314
N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide
CID 68916025
N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171683402
(4-imidazol-1-yl-2-pyridinyl)-morpholin-4-ylmethanone
CID 71801444
N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide
CID 171681681
N'-(2,6-dimethylphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]oxamide
CID 171683936
[(3S)-3-anilinopiperidin-1-yl]-(4-imidazol-1-yl-2-pyridinyl)methanone
CID 97260124
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860
N-[4-[1-(1,3-benzothiazole-5-carbonyl)piperidin-4-yl]phenyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171685759
4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylic acid
CID 174620569
N-(4-imidazol-1-ylphenyl)-2-[1-[3-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3532984

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide (CID 171678139) is N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide is Cc1c(C(=O)Nc2ccc(C3CCN(C(=O)c4cc(-n5ccnc5)ccn4)CC3)cc2)cccc1C(F)(F)F.
What is the InChIKey of N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is MOWUMCQQGHTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O2/c1-19-24(3-2-4-25(19)29(30,31)32)27(38)35-22-7-5-20(6-8-22)21-10-14-36(15-11-21)28(39)26-17-23(9-12-34-26)37-16-13-33-18-37/h2-9,12-13,16-18,21H,10-11,14-15H2,1H3,(H,35,38).
What are the key properties of N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide?
N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 533.55 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171678139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).