1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C24H22ClF3N4O — CID 86649323

IUPAC1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCN(c2cc(Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H22ClF3N4O/c25-20-14-21(31-22(30-20)16-6-2-1-3-7-16)32-12-10-17(11-13-32)23(33)29-15-18-8-4-5-9-19(18)24(26,27)28/h1-9,14,17H,10-13,15H2,(H,29,33)
InChIKeyVYJRJYJSUDLHFQ-UHFFFAOYSA-N
MW474.91 g/mol
LogP5.35
Rot. Bonds5

About 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 86649323) has the molecular formula C24H22ClF3N4O and a molecular weight of 474.91 g/mol. Its IUPAC name is 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID86649323
Molecular FormulaC24H22ClF3N4O
Molecular Weight474.91 g/mol
Exact Mass474.14
IUPAC Name1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCN(c2cc(Cl)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H22ClF3N4O/c25-20-14-21(31-22(30-20)16-6-2-1-3-7-16)32-12-10-17(11-13-32)23(33)29-15-18-8-4-5-9-19(18)24(26,27)28/h1-9,14,17H,10-13,15H2,(H,29,33)
InChIKeyVYJRJYJSUDLHFQ-UHFFFAOYSA-N
XLogP5.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 44182947
1-[2-methyl-6-(methylamino)-4-pyrimidinyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 44188851
1-[6-methyl-2-(methylamino)-4-pyrimidinyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 44188852
1-[2-methyl-6-(methylamino)-4-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655311
1-[4-methyl-6-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655313
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 3231362
N-[(4-Ethylphenyl)methyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-YL]piperidine-4-carboxamide
CID 91892480
N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 650243
N-cyclohexyl-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 650312
N-[2-(4-chlorophenyl)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223321
1-[6-methyl-4-(methylamino)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655312

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 86649323) is 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CCN(c2cc(Cl)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is VYJRJYJSUDLHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O/c25-20-14-21(31-22(30-20)16-6-2-1-3-7-16)32-12-10-17(11-13-32)23(33)29-15-18-8-4-5-9-19(18)24(26,27)28/h1-9,14,17H,10-13,15H2,(H,29,33).
What are the key properties of 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 474.91 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-phenylpyrimidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86649323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).