2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile

C126H119ClF21N15O16 — CID 157323917

IUPAC2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1.COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1.N#CC1(c2ccccc2)CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1.O=C(c1cnccc1C(F)(F)F)N1CCCC(Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccc3O)CC2)C1
InChIInChI=1S/C32H33ClF3N3O4.C32H30F6N4O5.C32H28F6N4O3.C30H28F6N4O4/c1-42-28-6-3-2-5-27(28)37-17-19-38(20-18-37)30(41)31(43-26-13-9-24(10-14-26)32(34,35)36)15-4-16-39(22-31)29(40)21-23-7-11-25(33)12-8-23;1-46-28(44)23-5-2-3-6-26(23)40-15-17-41(18-16-40)29(45)30(47-22-9-7-21(8-10-22)31(33,34)35)12-4-14-42(20-30)27(43)24-19-39-13-11-25(24)32(36,37)38;33-31(34,35)23-7-9-24(10-8-23)45-30(28(44)41-17-13-29(20-39,14-18-41)22-5-2-1-3-6-22)12-4-16-42(21-30)27(43)25-19-40-15-11-26(25)32(36,37)38;31-29(32,33)20-6-8-21(9-7-20)44-28(27(43)39-16-14-38(15-17-39)24-4-1-2-5-25(24)41)11-3-13-40(19-28)26(42)22-18-37-12-10-23(22)30(34,35)36/h2-3,5-14H,4,15-22H2,1H3;2-3,5-11,13,19H,4,12,14-18,20H2,1H3;1-3,5-11,15,19H,4,12-14,16-18,21H2;1-2,4-10,12,18,41H,3,11,13-17,19H2
InChIKeyBEMIPUZWPQORAO-UHFFFAOYSA-N
MW2533.84 g/mol
LogP22.49
Rot. Bonds23

About 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile

2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile (PubChem CID 157323917) has the molecular formula C126H119ClF21N15O16 and a molecular weight of 2533.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile
PubChem CID157323917
Molecular FormulaC126H119ClF21N15O16
Molecular Weight2533.84 g/mol
Exact Mass2531.83
IUPAC Name2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile
SMILESCOC(=O)c1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1.COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1.N#CC1(c2ccccc2)CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1.O=C(c1cnccc1C(F)(F)F)N1CCCC(Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccc3O)CC2)C1
InChIInChI=1S/C32H33ClF3N3O4.C32H30F6N4O5.C32H28F6N4O3.C30H28F6N4O4/c1-42-28-6-3-2-5-27(28)37-17-19-38(20-18-37)30(41)31(43-26-13-9-24(10-14-26)32(34,35)36)15-4-16-39(22-31)29(40)21-23-7-11-25(33)12-8-23;1-46-28(44)23-5-2-3-6-26(23)40-15-17-41(18-16-40)29(45)30(47-22-9-7-21(8-10-22)31(33,34)35)12-4-14-42(20-30)27(43)24-19-39-13-11-25(24)32(36,37)38;33-31(34,35)23-7-9-24(10-8-23)45-30(28(44)41-17-13-29(20-39,14-18-41)22-5-2-1-3-6-22)12-4-16-42(21-30)27(43)25-19-40-15-11-26(25)32(36,37)38;31-29(32,33)20-6-8-21(9-7-20)44-28(27(43)39-16-14-38(15-17-39)24-4-1-2-5-25(24)41)11-3-13-40(19-28)26(42)22-18-37-12-10-23(22)30(34,35)36/h2-3,5-14H,4,15-22H2,1H3;2-3,5-11,13,19H,4,12,14-18,20H2,1H3;1-3,5-11,15,19H,4,12-14,16-18,21H2;1-2,4-10,12,18,41H,3,11,13-17,19H2
InChIKeyBEMIPUZWPQORAO-UHFFFAOYSA-N
XLogP22.49
TPSA327.34 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002533.84
LogP ≤ 522.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile (CID 157323917) is 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile is COC(=O)c1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1.COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)Cc3ccc(Cl)cc3)C2)CC1.N#CC1(c2ccccc2)CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1.O=C(c1cnccc1C(F)(F)F)N1CCCC(Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccc3O)CC2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile?
The InChIKey is BEMIPUZWPQORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClF3N3O4.C32H30F6N4O5.C32H28F6N4O3.C30H28F6N4O4/c1-42-28-6-3-2-5-27(28)37-17-19-38(20-18-37)30(41)31(43-26-13-9-24(10-14-26)32(34,35)36)15-4-16-39(22-31)29(40)21-23-7-11-25(33)12-8-23;1-46-28(44)23-5-2-3-6-26(23)40-15-17-41(18-16-40)29(45)30(47-22-9-7-21(8-10-22)31(33,34)35)12-4-14-42(20-30)27(43)24-19-39-13-11-25(24)32(36,37)38;33-31(34,35)23-7-9-24(10-8-23)45-30(28(44)41-17-13-29(20-39,14-18-41)22-5-2-1-3-6-22)12-4-16-42(21-30)27(43)25-19-40-15-11-26(25)32(36,37)38;31-29(32,33)20-6-8-21(9-7-20)44-28(27(43)39-16-14-38(15-17-39)24-4-1-2-5-25(24)41)11-3-13-40(19-28)26(42)22-18-37-12-10-23(22)30(34,35)36/h2-3,5-14H,4,15-22H2,1H3;2-3,5-11,13,19H,4,12,14-18,20H2,1H3;1-3,5-11,15,19H,4,12-14,16-18,21H2;1-2,4-10,12,18,41H,3,11,13-17,19H2.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile?
2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile has a molecular weight of 2533.84 g/mol, XLogP of 22.49, 23 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone;[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;methyl 2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]benzoate;4-phenyl-1-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 157323917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).