bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one

C187H188N18O19 — CID 158893266

IUPACbis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCCCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCCCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(COc5ccncc5)cc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C33H35N3O3.2C31H31N3O3.C30H29N3O4.C29H27N3O3/c2*1-23-6-15-31(32(38)35-23)36-22-28-20-26(12-14-30(28)33(36)39)11-13-29(37)21-27-9-7-24(8-10-27)4-2-3-5-25-16-18-34-19-17-25;2*1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-20-2-11-28(29(35)32-20)33-18-24-16-21(8-10-27(24)30(33)36)7-9-25(34)17-22-3-5-23(6-4-22)19-37-26-12-14-31-15-13-26;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23/h2*7-10,12,14,16-20,31H,1-6,11,13,15,21-22H2,(H,35,38);2*5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-6,8,10,12-16,28H,1-2,7,9,11,17-19H2,(H,32,35);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34)
InChIKeyJEMSZVBRPWHKDN-UHFFFAOYSA-N
MW2991.67 g/mol
LogP27.39
Rot. Bonds56

About bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one

bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one (PubChem CID 158893266) has the molecular formula C187H188N18O19 and a molecular weight of 2991.67 g/mol. Its IUPAC name is bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one.

Molecular Properties

Compound Namebis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
PubChem CID158893266
Molecular FormulaC187H188N18O19
Molecular Weight2991.67 g/mol
Exact Mass2989.43
IUPAC Namebis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCCCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCCCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(COc5ccncc5)cc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/2C33H35N3O3.2C31H31N3O3.C30H29N3O4.C29H27N3O3/c2*1-23-6-15-31(32(38)35-23)36-22-28-20-26(12-14-30(28)33(36)39)11-13-29(37)21-27-9-7-24(8-10-27)4-2-3-5-25-16-18-34-19-17-25;2*1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-20-2-11-28(29(35)32-20)33-18-24-16-21(8-10-27(24)30(33)36)7-9-25(34)17-22-3-5-23(6-4-22)19-37-26-12-14-31-15-13-26;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23/h2*7-10,12,14,16-20,31H,1-6,11,13,15,21-22H2,(H,35,38);2*5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-6,8,10,12-16,28H,1-2,7,9,11,17-19H2,(H,32,35);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34)
InChIKeyJEMSZVBRPWHKDN-UHFFFAOYSA-N
XLogP27.39
TPSA485.45 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds56
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.67
LogP ≤ 527.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The IUPAC name of bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one (CID 158893266) is bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one.
What is the SMILES notation for bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The canonical SMILES for bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one is C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCCCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCCCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(COc5ccncc5)cc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The InChIKey is JEMSZVBRPWHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H35N3O3.2C31H31N3O3.C30H29N3O4.C29H27N3O3/c2*1-23-6-15-31(32(38)35-23)36-22-28-20-26(12-14-30(28)33(36)39)11-13-29(37)21-27-9-7-24(8-10-27)4-2-3-5-25-16-18-34-19-17-25;2*1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-20-2-11-28(29(35)32-20)33-18-24-16-21(8-10-27(24)30(33)36)7-9-25(34)17-22-3-5-23(6-4-22)19-37-26-12-14-31-15-13-26;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23/h2*7-10,12,14,16-20,31H,1-6,11,13,15,21-22H2,(H,35,38);2*5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-6,8,10,12-16,28H,1-2,7,9,11,17-19H2,(H,32,35);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34).
What are the key properties of bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one has a molecular weight of 2991.67 g/mol, XLogP of 27.39, 56 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(4-pyridin-4-ylbutyl)phenyl]butyl]-3H-isoindol-1-one);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one);2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one is sourced from PubChem (CID 158893266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).