N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

C24H24F3N5O2 — CID 134800838

IUPACN-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1
InChIInChI=1S/C24H24F3N5O2/c1-34-20-8-6-18(7-9-20)29-21-10-13-28-23(31-21)32-14-11-19(12-15-32)30-22(33)16-2-4-17(5-3-16)24(25,26)27/h2-10,13,19H,11-12,14-15H2,1H3,(H,30,33)(H,28,29,31)
InChIKeyFKJVNZKZQUVWTO-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.65
Rot. Bonds6

About N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 134800838) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID134800838
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1
InChIInChI=1S/C24H24F3N5O2/c1-34-20-8-6-18(7-9-20)29-21-10-13-28-23(31-21)32-14-11-19(12-15-32)30-22(33)16-2-4-17(5-3-16)24(25,26)27/h2-10,13,19H,11-12,14-15H2,1H3,(H,30,33)(H,28,29,31)
InChIKeyFKJVNZKZQUVWTO-UHFFFAOYSA-N
XLogP4.65
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 134800838) is N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is COc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1.
What is the InChIKey of N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is FKJVNZKZQUVWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-34-20-8-6-18(7-9-20)29-21-10-13-28-23(31-21)32-14-11-19(12-15-32)30-22(33)16-2-4-17(5-3-16)24(25,26)27/h2-10,13,19H,11-12,14-15H2,1H3,(H,30,33)(H,28,29,31).
What are the key properties of N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 471.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134800838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).