3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide

C56H62F6N8O4 — CID 159802516

IUPAC3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide
SMILESCCN1CCC(c2ccc(Cc3ncc(C(F)(F)F)c(CCc4cccc(C(N)=O)c4)n3)c(OC)c2)CC1.COc1cc(C2CCNCC2)ccc1Cc1ncc(C(F)(F)F)c(CCc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C29H33F3N4O2.C27H29F3N4O2/c1-3-36-13-11-20(12-14-36)21-8-9-22(26(16-21)38-2)17-27-34-18-24(29(30,31)32)25(35-27)10-7-19-5-4-6-23(15-19)28(33)37;1-36-24-14-19(18-9-11-32-12-10-18)6-7-20(24)15-25-33-16-22(27(28,29)30)23(34-25)8-5-17-3-2-4-21(13-17)26(31)35/h4-6,8-9,15-16,18,20H,3,7,10-14,17H2,1-2H3,(H2,33,37);2-4,6-7,13-14,16,18,32H,5,8-12,15H2,1H3,(H2,31,35)
InChIKeyNJYXRVWGKLGONC-UHFFFAOYSA-N
MW1025.15 g/mol
LogP9.62
Rot. Bonds17

About 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide

3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide (PubChem CID 159802516) has the molecular formula C56H62F6N8O4 and a molecular weight of 1025.15 g/mol. Its IUPAC name is 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide
PubChem CID159802516
Molecular FormulaC56H62F6N8O4
Molecular Weight1025.15 g/mol
Exact Mass1024.48
IUPAC Name3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide
SMILESCCN1CCC(c2ccc(Cc3ncc(C(F)(F)F)c(CCc4cccc(C(N)=O)c4)n3)c(OC)c2)CC1.COc1cc(C2CCNCC2)ccc1Cc1ncc(C(F)(F)F)c(CCc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C29H33F3N4O2.C27H29F3N4O2/c1-3-36-13-11-20(12-14-36)21-8-9-22(26(16-21)38-2)17-27-34-18-24(29(30,31)32)25(35-27)10-7-19-5-4-6-23(15-19)28(33)37;1-36-24-14-19(18-9-11-32-12-10-18)6-7-20(24)15-25-33-16-22(27(28,29)30)23(34-25)8-5-17-3-2-4-21(13-17)26(31)35/h4-6,8-9,15-16,18,20H,3,7,10-14,17H2,1-2H3,(H2,33,37);2-4,6-7,13-14,16,18,32H,5,8-12,15H2,1H3,(H2,31,35)
InChIKeyNJYXRVWGKLGONC-UHFFFAOYSA-N
XLogP9.62
TPSA171.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.15
LogP ≤ 59.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide with MolForge

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Related Compounds

{3-[2-(3,3-Difluoro-pyrrolidin-1-yl)-6-(4-methyl-pyridin-2-ylamino)-pyrimidin-4-yl]-piperidin-1-yl}-(2-methoxy-4-methyl-phenyl)-methanone
CID 118873869
[4-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-2-(trifluoromethoxy)phenyl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 58072548
[4-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 58072572
[4-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-2-(trifluoromethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58072614
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 58072696
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 58072753
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-(4-benzylpiperazin-1-yl)methanone
CID 58072827
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 58072921
[4-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-2-(trifluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 58072958
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 58072976
[4-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-2-(trifluoromethoxy)phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 58073039
3-(2-(2-((2-Methoxy-4-(piperidin-4-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)ethyl)benzamide
CID 60162121

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide?
The IUPAC name of 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide (CID 159802516) is 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide?
The canonical SMILES for 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide is CCN1CCC(c2ccc(Cc3ncc(C(F)(F)F)c(CCc4cccc(C(N)=O)c4)n3)c(OC)c2)CC1.COc1cc(C2CCNCC2)ccc1Cc1ncc(C(F)(F)F)c(CCc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide?
The InChIKey is NJYXRVWGKLGONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N4O2.C27H29F3N4O2/c1-3-36-13-11-20(12-14-36)21-8-9-22(26(16-21)38-2)17-27-34-18-24(29(30,31)32)25(35-27)10-7-19-5-4-6-23(15-19)28(33)37;1-36-24-14-19(18-9-11-32-12-10-18)6-7-20(24)15-25-33-16-22(27(28,29)30)23(34-25)8-5-17-3-2-4-21(13-17)26(31)35/h4-6,8-9,15-16,18,20H,3,7,10-14,17H2,1-2H3,(H2,33,37);2-4,6-7,13-14,16,18,32H,5,8-12,15H2,1H3,(H2,31,35).
What are the key properties of 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide?
3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide has a molecular weight of 1025.15 g/mol, XLogP of 9.62, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[[4-(1-ethylpiperidin-4-yl)-2-methoxyphenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide;3-[2-[2-[(2-methoxy-4-piperidin-4-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 159802516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).