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

C25H26F3N5O2 — CID 134796510

IUPACN-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4ccc(C(F)(F)F)cc4)CC3)n2)cc1
InChIInChI=1S/C25H26F3N5O2/c1-35-21-8-6-19(7-9-21)30-22-10-13-29-24(32-22)33-14-11-20(12-15-33)31-23(34)16-17-2-4-18(5-3-17)25(26,27)28/h2-10,13,20H,11-12,14-16H2,1H3,(H,31,34)(H,29,30,32)
InChIKeySHKDRCGLSPIHPM-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.58
Rot. Bonds7

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

N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 134796510) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID134796510
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4ccc(C(F)(F)F)cc4)CC3)n2)cc1
InChIInChI=1S/C25H26F3N5O2/c1-35-21-8-6-19(7-9-21)30-22-10-13-29-24(32-22)33-14-11-20(12-15-33)31-23(34)16-17-2-4-18(5-3-17)25(26,27)28/h2-10,13,20H,11-12,14-16H2,1H3,(H,31,34)(H,29,30,32)
InChIKeySHKDRCGLSPIHPM-UHFFFAOYSA-N
XLogP4.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.58
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]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 134796510) is N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4ccc(C(F)(F)F)cc4)CC3)n2)cc1.
What is the InChIKey of N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SHKDRCGLSPIHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-35-21-8-6-19(7-9-21)30-22-10-13-29-24(32-22)33-14-11-20(12-15-33)31-23(34)16-17-2-4-18(5-3-17)25(26,27)28/h2-10,13,20H,11-12,14-16H2,1H3,(H,31,34)(H,29,30,32).
What are the key properties of N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 485.51 g/mol, XLogP of 4.58, 7 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]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 134796510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).