2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide

C26H28F3N5O — CID 161007880

IUPAC2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide
SMILESNC(=O)Cc1cccnc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O/c27-26(28,29)21-16-33-25(14-17-3-5-18(6-4-17)19-9-12-31-13-10-19)34-23(21)8-7-22-20(15-24(30)35)2-1-11-32-22/h1-6,11,16,19,31H,7-10,12-15H2,(H2,30,35)
InChIKeyXUCOLLVIHHWDPO-UHFFFAOYSA-N
MW483.54 g/mol
LogP3.76
Rot. Bonds8

About 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide

2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide (PubChem CID 161007880) has the molecular formula C26H28F3N5O and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide
PubChem CID161007880
Molecular FormulaC26H28F3N5O
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide
SMILESNC(=O)Cc1cccnc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O/c27-26(28,29)21-16-33-25(14-17-3-5-18(6-4-17)19-9-12-31-13-10-19)34-23(21)8-7-22-20(15-24(30)35)2-1-11-32-22/h1-6,11,16,19,31H,7-10,12-15H2,(H2,30,35)
InChIKeyXUCOLLVIHHWDPO-UHFFFAOYSA-N
XLogP3.76
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide (CID 161007880) is 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide is NC(=O)Cc1cccnc1CCc1nc(Cc2ccc(C3CCNCC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide?
The InChIKey is XUCOLLVIHHWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O/c27-26(28,29)21-16-33-25(14-17-3-5-18(6-4-17)19-9-12-31-13-10-19)34-23(21)8-7-22-20(15-24(30)35)2-1-11-32-22/h1-6,11,16,19,31H,7-10,12-15H2,(H2,30,35).
What are the key properties of 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide?
2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide has a molecular weight of 483.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 161007880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).