3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one

C107H102N16O11S2 — CID 167595579

IUPAC3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one
SMILESC=C1CCC(c2ccc3nc[nH]c3c2)C(=O)N1.C=C1CCC(c2ccc3ocnc3c2)C(=O)N1.C=C1CNC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1CNC(c2ccc3c(c2)N=CC3)C(=O)N1.C=C1COC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1COC(c2ccc3c(c2)N=CC3)C(=O)N1.C=C1CSC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1CSC(c2ccc3c(c2)N=CC3)C(=O)N1
InChIInChI=1S/C14H14N2O.C14H13NO2.C14H13NOS.2C13H13N3O.2C13H12N2O2.C13H12N2OS/c1-9-8-15-13(14(17)16-9)12-6-5-10-3-2-4-11(10)7-12;2*1-9-8-17-13(14(16)15-9)12-6-5-10-3-2-4-11(10)7-12;1-8-2-4-10(13(17)16-8)9-3-5-11-12(6-9)15-7-14-11;1-8-7-15-12(13(17)16-8)10-3-2-9-4-5-14-11(9)6-10;1-8-2-4-10(13(16)15-8)9-3-5-12-11(6-9)14-7-17-12;2*1-8-7-17-12(13(16)15-8)10-3-2-9-4-5-14-11(9)6-10/h2,4-7,13,15H,1,3,8H2,(H,16,17);2*2,4-7,13H,1,3,8H2,(H,15,16);3,5-7,10H,1-2,4H2,(H,14,15)(H,16,17);2-3,5-6,12,15H,1,4,7H2,(H,16,17);3,5-7,10H,1-2,4H2,(H,15,16);2*2-3,5-6,12H,1,4,7H2,(H,15,16)
InChIKeyJACWIVKEPBUASY-UHFFFAOYSA-N
MW1852.23 g/mol
LogP15.79
Rot. Bonds8

About 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one

3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one (PubChem CID 167595579) has the molecular formula C107H102N16O11S2 and a molecular weight of 1852.23 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one
PubChem CID167595579
Molecular FormulaC107H102N16O11S2
Molecular Weight1852.23 g/mol
Exact Mass1850.74
IUPAC Name3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one
SMILESC=C1CCC(c2ccc3nc[nH]c3c2)C(=O)N1.C=C1CCC(c2ccc3ocnc3c2)C(=O)N1.C=C1CNC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1CNC(c2ccc3c(c2)N=CC3)C(=O)N1.C=C1COC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1COC(c2ccc3c(c2)N=CC3)C(=O)N1.C=C1CSC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1CSC(c2ccc3c(c2)N=CC3)C(=O)N1
InChIInChI=1S/C14H14N2O.C14H13NO2.C14H13NOS.2C13H13N3O.2C13H12N2O2.C13H12N2OS/c1-9-8-15-13(14(17)16-9)12-6-5-10-3-2-4-11(10)7-12;2*1-9-8-17-13(14(16)15-9)12-6-5-10-3-2-4-11(10)7-12;1-8-2-4-10(13(17)16-8)9-3-5-11-12(6-9)15-7-14-11;1-8-7-15-12(13(17)16-8)10-3-2-9-4-5-14-11(9)6-10;1-8-2-4-10(13(16)15-8)9-3-5-12-11(6-9)14-7-17-12;2*1-8-7-17-12(13(16)15-8)10-3-2-9-4-5-14-11(9)6-10/h2,4-7,13,15H,1,3,8H2,(H,16,17);2*2,4-7,13H,1,3,8H2,(H,15,16);3,5-7,10H,1-2,4H2,(H,14,15)(H,16,17);2-3,5-6,12,15H,1,4,7H2,(H,16,17);3,5-7,10H,1-2,4H2,(H,15,16);2*2-3,5-6,12H,1,4,7H2,(H,15,16)
InChIKeyJACWIVKEPBUASY-UHFFFAOYSA-N
XLogP15.79
TPSA367.11 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001852.23
LogP ≤ 515.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one (CID 167595579) is 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one is C=C1CCC(c2ccc3nc[nH]c3c2)C(=O)N1.C=C1CCC(c2ccc3ocnc3c2)C(=O)N1.C=C1CNC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1CNC(c2ccc3c(c2)N=CC3)C(=O)N1.C=C1COC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1COC(c2ccc3c(c2)N=CC3)C(=O)N1.C=C1CSC(c2ccc3c(c2)C=CC3)C(=O)N1.C=C1CSC(c2ccc3c(c2)N=CC3)C(=O)N1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one?
The InChIKey is JACWIVKEPBUASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.C14H13NO2.C14H13NOS.2C13H13N3O.2C13H12N2O2.C13H12N2OS/c1-9-8-15-13(14(17)16-9)12-6-5-10-3-2-4-11(10)7-12;2*1-9-8-17-13(14(16)15-9)12-6-5-10-3-2-4-11(10)7-12;1-8-2-4-10(13(17)16-8)9-3-5-11-12(6-9)15-7-14-11;1-8-7-15-12(13(17)16-8)10-3-2-9-4-5-14-11(9)6-10;1-8-2-4-10(13(16)15-8)9-3-5-12-11(6-9)14-7-17-12;2*1-8-7-17-12(13(16)15-8)10-3-2-9-4-5-14-11(9)6-10/h2,4-7,13,15H,1,3,8H2,(H,16,17);2*2,4-7,13H,1,3,8H2,(H,15,16);3,5-7,10H,1-2,4H2,(H,14,15)(H,16,17);2-3,5-6,12,15H,1,4,7H2,(H,16,17);3,5-7,10H,1-2,4H2,(H,15,16);2*2-3,5-6,12H,1,4,7H2,(H,15,16).
What are the key properties of 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one?
3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one has a molecular weight of 1852.23 g/mol, XLogP of 15.79, 8 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-6-methylidenepiperidin-2-one;3-(1,3-benzoxazol-5-yl)-6-methylidenepiperidin-2-one;2-(1H-inden-5-yl)-5-methylidenemorpholin-3-one;3-(1H-inden-5-yl)-6-methylidenepiperazin-2-one;2-(1H-inden-5-yl)-5-methylidenethiomorpholin-3-one;2-(3H-indol-6-yl)-5-methylidenemorpholin-3-one;3-(3H-indol-6-yl)-6-methylidenepiperazin-2-one;2-(3H-indol-6-yl)-5-methylidenethiomorpholin-3-one is sourced from PubChem (CID 167595579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).