2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone

C159H159F6N17O6 — CID 159106898

IUPAC2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2cccc(C(F)(F)F)c2)n1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2ccccc2)n1.O=C(Cc1cccc(Cc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C32H31F3N4O.C32H30F3N3O.C32H33N3O2.C32H33N3O.C31H32N4O/c1-22-7-10-25(31(40)37-28-11-8-23(9-12-28)14-18-39-16-2-3-17-39)19-26(22)21-30-36-15-13-29(38-30)24-5-4-6-27(20-24)32(33,34)35;33-32(34,35)30-21-28(26-10-3-1-4-11-26)36-31(37-30)20-25-9-7-8-24(18-25)19-29(39)27-14-12-23(13-15-27)22-38-16-5-2-6-17-38;1-37-29-14-12-27(13-15-29)30-16-17-33-32(34-30)22-26-7-5-6-25(20-26)21-31(36)28-10-8-24(9-11-28)23-35-18-3-2-4-19-35;1-24-8-12-28(13-9-24)30-16-17-33-32(34-30)22-27-7-5-6-26(20-27)21-31(36)29-14-10-25(11-15-29)23-35-18-3-2-4-19-35;1-23-9-12-26(21-27(23)22-30-32-17-15-29(34-30)25-7-3-2-4-8-25)31(36)33-28-13-10-24(11-14-28)16-20-35-18-5-6-19-35/h4-13,15,19-20H,2-3,14,16-18,21H2,1H3,(H,37,40);1,3-4,7-15,18,21H,2,5-6,16-17,19-20,22H2;5-17,20H,2-4,18-19,21-23H2,1H3;5-17,20H,2-4,18-19,21-23H2,1H3;2-4,7-15,17,21H,5-6,16,18-20,22H2,1H3,(H,33,36)
InChIKeyKDZPLMHOUGTSML-UHFFFAOYSA-N
MW2518.12 g/mol
LogP32.66
Rot. Bonds41

About 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone

2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone (PubChem CID 159106898) has the molecular formula C159H159F6N17O6 and a molecular weight of 2518.12 g/mol. Its IUPAC name is 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone
PubChem CID159106898
Molecular FormulaC159H159F6N17O6
Molecular Weight2518.12 g/mol
Exact Mass2516.26
IUPAC Name2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone
SMILESCOc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2cccc(C(F)(F)F)c2)n1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2ccccc2)n1.O=C(Cc1cccc(Cc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C32H31F3N4O.C32H30F3N3O.C32H33N3O2.C32H33N3O.C31H32N4O/c1-22-7-10-25(31(40)37-28-11-8-23(9-12-28)14-18-39-16-2-3-17-39)19-26(22)21-30-36-15-13-29(38-30)24-5-4-6-27(20-24)32(33,34)35;33-32(34,35)30-21-28(26-10-3-1-4-11-26)36-31(37-30)20-25-9-7-8-24(18-25)19-29(39)27-14-12-23(13-15-27)22-38-16-5-2-6-17-38;1-37-29-14-12-27(13-15-29)30-16-17-33-32(34-30)22-26-7-5-6-25(20-26)21-31(36)28-10-8-24(9-11-28)23-35-18-3-2-4-19-35;1-24-8-12-28(13-9-24)30-16-17-33-32(34-30)22-27-7-5-6-26(20-27)21-31(36)29-14-10-25(11-15-29)23-35-18-3-2-4-19-35;1-23-9-12-26(21-27(23)22-30-32-17-15-29(34-30)25-7-3-2-4-8-25)31(36)33-28-13-10-24(11-14-28)16-20-35-18-5-6-19-35/h4-13,15,19-20H,2-3,14,16-18,21H2,1H3,(H,37,40);1,3-4,7-15,18,21H,2,5-6,16-17,19-20,22H2;5-17,20H,2-4,18-19,21-23H2,1H3;5-17,20H,2-4,18-19,21-23H2,1H3;2-4,7-15,17,21H,5-6,16,18-20,22H2,1H3,(H,33,36)
InChIKeyKDZPLMHOUGTSML-UHFFFAOYSA-N
XLogP32.66
TPSA263.74 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds41
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002518.12
LogP ≤ 532.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone?
The IUPAC name of 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone (CID 159106898) is 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone.
What is the SMILES notation for 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone?
The canonical SMILES for 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone is COc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2cccc(C(F)(F)F)c2)n1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2ccccc2)n1.O=C(Cc1cccc(Cc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone?
The InChIKey is KDZPLMHOUGTSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N4O.C32H30F3N3O.C32H33N3O2.C32H33N3O.C31H32N4O/c1-22-7-10-25(31(40)37-28-11-8-23(9-12-28)14-18-39-16-2-3-17-39)19-26(22)21-30-36-15-13-29(38-30)24-5-4-6-27(20-24)32(33,34)35;33-32(34,35)30-21-28(26-10-3-1-4-11-26)36-31(37-30)20-25-9-7-8-24(18-25)19-29(39)27-14-12-23(13-15-27)22-38-16-5-2-6-17-38;1-37-29-14-12-27(13-15-29)30-16-17-33-32(34-30)22-26-7-5-6-25(20-26)21-31(36)28-10-8-24(9-11-28)23-35-18-3-2-4-19-35;1-24-8-12-28(13-9-24)30-16-17-33-32(34-30)22-27-7-5-6-26(20-27)21-31(36)29-14-10-25(11-15-29)23-35-18-3-2-4-19-35;1-23-9-12-26(21-27(23)22-30-32-17-15-29(34-30)25-7-3-2-4-8-25)31(36)33-28-13-10-24(11-14-28)16-20-35-18-5-6-19-35/h4-13,15,19-20H,2-3,14,16-18,21H2,1H3,(H,37,40);1,3-4,7-15,18,21H,2,5-6,16-17,19-20,22H2;5-17,20H,2-4,18-19,21-23H2,1H3;5-17,20H,2-4,18-19,21-23H2,1H3;2-4,7-15,17,21H,5-6,16,18-20,22H2,1H3,(H,33,36).
What are the key properties of 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone?
2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone has a molecular weight of 2518.12 g/mol, XLogP of 32.66, 41 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone is sourced from PubChem (CID 159106898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).