[(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol

C95H111N7O6 — CID 161019288

IUPAC[(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
SMILESCC(=O)Nc1ccc(/C(=C(\CCCOC(C)=O)c2ccccc2)c2ccc(N3CCN(C4CC4)CC3)cc2)cc1.CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccccc3O)cc2)CC1.Nc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C34H39N3O3.C31H36N2O.C30H36N2O2/c1-25(38)35-30-14-10-28(11-15-30)34(33(9-6-24-40-26(2)39)27-7-4-3-5-8-27)29-12-16-31(17-13-29)36-20-22-37(23-21-36)32-18-19-32;32-28-14-12-27(13-15-28)31(30(7-4-22-34)25-5-2-1-3-6-25)26-10-8-23(9-11-26)24-18-20-33(21-19-24)29-16-17-29;1-23(2)31-18-20-32(21-19-31)26-16-14-25(15-17-26)30(28-11-6-7-13-29(28)34)27(12-8-22-33)24-9-4-3-5-10-24/h3-5,7-8,10-17,32H,6,9,18-24H2,1-2H3,(H,35,38);1-3,5-6,8-15,24,29,34H,4,7,16-22,32H2;3-7,9-11,13-17,23,33-34H,8,12,18-22H2,1-2H3/b34-33-;31-30+;30-27+
InChIKeyTYDMSVPQVGWIEL-GIOHSINPSA-N
MW1446.98 g/mol
LogP18.23
Rot. Bonds26

About [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol

[(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol (PubChem CID 161019288) has the molecular formula C95H111N7O6 and a molecular weight of 1446.98 g/mol. Its IUPAC name is [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol.

Molecular Properties

Compound Name[(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
PubChem CID161019288
Molecular FormulaC95H111N7O6
Molecular Weight1446.98 g/mol
Exact Mass1445.86
IUPAC Name[(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
SMILESCC(=O)Nc1ccc(/C(=C(\CCCOC(C)=O)c2ccccc2)c2ccc(N3CCN(C4CC4)CC3)cc2)cc1.CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccccc3O)cc2)CC1.Nc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C34H39N3O3.C31H36N2O.C30H36N2O2/c1-25(38)35-30-14-10-28(11-15-30)34(33(9-6-24-40-26(2)39)27-7-4-3-5-8-27)29-12-16-31(17-13-29)36-20-22-37(23-21-36)32-18-19-32;32-28-14-12-27(13-15-28)31(30(7-4-22-34)25-5-2-1-3-6-25)26-10-8-23(9-11-26)24-18-20-33(21-19-24)29-16-17-29;1-23(2)31-18-20-32(21-19-31)26-16-14-25(15-17-26)30(28-11-6-7-13-29(28)34)27(12-8-22-33)24-9-4-3-5-10-24/h3-5,7-8,10-17,32H,6,9,18-24H2,1-2H3,(H,35,38);1-3,5-6,8-15,24,29,34H,4,7,16-22,32H2;3-7,9-11,13-17,23,33-34H,8,12,18-22H2,1-2H3/b34-33-;31-30+;30-27+
InChIKeyTYDMSVPQVGWIEL-GIOHSINPSA-N
XLogP18.23
TPSA158.31 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.98
LogP ≤ 518.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol with MolForge

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Related Compounds

(Z)-5-(4-aminophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;4-[(E)-1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
CID 159115330
(E)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-[4-(cyclopropylsulfanylamino)phenyl]-4-phenylpent-4-en-1-ol
CID 138614584
3-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
CID 163533301
3-[(E)-1-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(E)-5-[4-(1-cyclopropylpyrrolidin-3-yl)phenyl]-5-(4-hydroxyphenyl)-4-phenylpent-4-enoic acid;3-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-ylpyrrolidin-3-yl)phenyl]pent-1-enyl]phenol
CID 157236679
4-[(E)-1-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol
CID 138493030
4-[(E)-1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;dihydrochloride
CID 155567147
5-(4-nitrophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol
CID 176732336
4-[(E)-5-hydroxy-1-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-phenylpent-1-enyl]phenol
CID 155544192
4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol
CID 162672808
(Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;4-[(E)-1-(4-cyclohexylphenyl)-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-(1-cyclopropylazetidin-3-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(Z)-1-[4-[2-(2,7-diazaspiro[4.4]nonan-2-yl)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;(Z)-5-[4-[3-(dimethylamino)cyclobutyl]phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;(Z)-5-(4-methylphenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;(E)-5-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-nitrophenyl)-4-phenylpent-4-en-1-ol
CID 157272572
4-[(Z)-1-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]cyclohexa-2,4-dien-1-ol
CID 145430215
3-[(E)-2-cyclohexa-1,5-dien-3-yn-1-yl-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-hydroxypent-1-enyl]phenol
CID 166897018

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
The IUPAC name of [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol (CID 161019288) is [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol.
What is the SMILES notation for [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
The canonical SMILES for [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol is CC(=O)Nc1ccc(/C(=C(\CCCOC(C)=O)c2ccccc2)c2ccc(N3CCN(C4CC4)CC3)cc2)cc1.CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccccc3O)cc2)CC1.Nc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1.
What is the InChIKey of [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
The InChIKey is TYDMSVPQVGWIEL-GIOHSINPSA-N. The full InChI is InChI=1S/C34H39N3O3.C31H36N2O.C30H36N2O2/c1-25(38)35-30-14-10-28(11-15-30)34(33(9-6-24-40-26(2)39)27-7-4-3-5-8-27)29-12-16-31(17-13-29)36-20-22-37(23-21-36)32-18-19-32;32-28-14-12-27(13-15-28)31(30(7-4-22-34)25-5-2-1-3-6-25)26-10-8-23(9-11-26)24-18-20-33(21-19-24)29-16-17-29;1-23(2)31-18-20-32(21-19-31)26-16-14-25(15-17-26)30(28-11-6-7-13-29(28)34)27(12-8-22-33)24-9-4-3-5-10-24/h3-5,7-8,10-17,32H,6,9,18-24H2,1-2H3,(H,35,38);1-3,5-6,8-15,24,29,34H,4,7,16-22,32H2;3-7,9-11,13-17,23,33-34H,8,12,18-22H2,1-2H3/b34-33-;31-30+;30-27+.
What are the key properties of [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol?
[(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol has a molecular weight of 1446.98 g/mol, XLogP of 18.23, 26 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(4-acetamidophenyl)-5-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenylpent-4-enyl] acetate;(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol;2-[(E)-5-hydroxy-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 161019288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).