3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one

C208H256N12O32 — CID 157169106

IUPAC3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC(C)(C)C)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3C4CC5CC(C4)CC3C5)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3CCCC3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3CCCCC3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CCc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N(C)Cc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N3CCN(C)CC3)c(=O)oc12
InChIInChI=1S/C32H34N2O4.C29H37NO4.C26H30N2O4.C26H29NO4.C25H33NO4.C24H31NO4.C23H31N3O4.C23H31NO4/c1-23-29(37-28-15-17-33(2)18-16-28)14-13-26-19-27(32(36)38-31(23)26)20-30(35)34(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25;1-17-27(33-25-5-7-30(2)8-6-25)4-3-20-14-23(29(32)34-28(17)20)15-24(31)16-26-21-10-18-9-19(12-21)13-22(26)11-18;1-18-23(31-22-11-13-27(2)14-12-22)10-9-20-15-21(26(30)32-25(18)20)16-24(29)28(3)17-19-7-5-4-6-8-19;1-18-24(30-23-12-14-27(2)15-13-23)11-9-20-16-21(26(29)31-25(18)20)17-22(28)10-8-19-6-4-3-5-7-19;1-17-23(29-22-10-12-26(2)13-11-22)9-8-19-15-20(25(28)30-24(17)19)16-21(27)14-18-6-4-3-5-7-18;1-16-22(28-21-9-11-25(2)12-10-21)8-7-18-14-19(24(27)29-23(16)18)15-20(26)13-17-5-3-4-6-17;1-16-20(29-19-6-8-24(2)9-7-19)5-4-17-14-18(23(28)30-22(16)17)15-21(27)26-12-10-25(3)11-13-26;1-15-20(27-19-8-10-24(5)11-9-19)7-6-16-12-17(22(26)28-21(15)16)13-18(25)14-23(2,3)4/h3-14,19,28H,15-18,20-22H2,1-2H3;3-4,14,18-19,21-22,25-26H,5-13,15-16H2,1-2H3;4-10,15,22H,11-14,16-17H2,1-3H3;3-7,9,11,16,23H,8,10,12-15,17H2,1-2H3;8-9,15,18,22H,3-7,10-14,16H2,1-2H3;7-8,14,17,21H,3-6,9-13,15H2,1-2H3;4-5,14,19H,6-13,15H2,1-3H3;6-7,12,19H,8-11,13-14H2,1-5H3
InChIKeyANGDATLGCTXPJT-UHFFFAOYSA-N
MW3436.39 g/mol
LogP33.52
Rot. Bonds48

About 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one

3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one (PubChem CID 157169106) has the molecular formula C208H256N12O32 and a molecular weight of 3436.39 g/mol. Its IUPAC name is 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one.

Molecular Properties

Compound Name3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one
PubChem CID157169106
Molecular FormulaC208H256N12O32
Molecular Weight3436.39 g/mol
Exact Mass3433.88
IUPAC Name3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one
SMILESCc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC(C)(C)C)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3C4CC5CC(C4)CC3C5)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3CCCC3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3CCCCC3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CCc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N(C)Cc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N3CCN(C)CC3)c(=O)oc12
InChIInChI=1S/C32H34N2O4.C29H37NO4.C26H30N2O4.C26H29NO4.C25H33NO4.C24H31NO4.C23H31N3O4.C23H31NO4/c1-23-29(37-28-15-17-33(2)18-16-28)14-13-26-19-27(32(36)38-31(23)26)20-30(35)34(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25;1-17-27(33-25-5-7-30(2)8-6-25)4-3-20-14-23(29(32)34-28(17)20)15-24(31)16-26-21-10-18-9-19(12-21)13-22(26)11-18;1-18-23(31-22-11-13-27(2)14-12-22)10-9-20-15-21(26(30)32-25(18)20)16-24(29)28(3)17-19-7-5-4-6-8-19;1-18-24(30-23-12-14-27(2)15-13-23)11-9-20-16-21(26(29)31-25(18)20)17-22(28)10-8-19-6-4-3-5-7-19;1-17-23(29-22-10-12-26(2)13-11-22)9-8-19-15-20(25(28)30-24(17)19)16-21(27)14-18-6-4-3-5-7-18;1-16-22(28-21-9-11-25(2)12-10-21)8-7-18-14-19(24(27)29-23(16)18)15-20(26)13-17-5-3-4-6-17;1-16-20(29-19-6-8-24(2)9-7-19)5-4-17-14-18(23(28)30-22(16)17)15-21(27)26-12-10-25(3)11-13-26;1-15-20(27-19-8-10-24(5)11-9-19)7-6-16-12-17(22(26)28-21(15)16)13-18(25)14-23(2,3)4/h3-14,19,28H,15-18,20-22H2,1-2H3;3-4,14,18-19,21-22,25-26H,5-13,15-16H2,1-2H3;4-10,15,22H,11-14,16-17H2,1-3H3;3-7,9,11,16,23H,8,10,12-15,17H2,1-2H3;8-9,15,18,22H,3-7,10-14,16H2,1-2H3;7-8,14,17,21H,3-6,9-13,15H2,1-2H3;4-5,14,19H,6-13,15H2,1-3H3;6-7,12,19H,8-11,13-14H2,1-5H3
InChIKeyANGDATLGCTXPJT-UHFFFAOYSA-N
XLogP33.52
TPSA490.96 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds48
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003436.39
LogP ≤ 533.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one?
The IUPAC name of 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one (CID 157169106) is 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one.
What is the SMILES notation for 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one?
The canonical SMILES for 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one is Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC(C)(C)C)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3C4CC5CC(C4)CC3C5)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3CCCC3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CC3CCCCC3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)CCc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N(C)Cc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)oc12.Cc1c(OC2CCN(C)CC2)ccc2cc(CC(=O)N3CCN(C)CC3)c(=O)oc12.
What is the InChIKey of 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one?
The InChIKey is ANGDATLGCTXPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4.C29H37NO4.C26H30N2O4.C26H29NO4.C25H33NO4.C24H31NO4.C23H31N3O4.C23H31NO4/c1-23-29(37-28-15-17-33(2)18-16-28)14-13-26-19-27(32(36)38-31(23)26)20-30(35)34(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25;1-17-27(33-25-5-7-30(2)8-6-25)4-3-20-14-23(29(32)34-28(17)20)15-24(31)16-26-21-10-18-9-19(12-21)13-22(26)11-18;1-18-23(31-22-11-13-27(2)14-12-22)10-9-20-15-21(26(30)32-25(18)20)16-24(29)28(3)17-19-7-5-4-6-8-19;1-18-24(30-23-12-14-27(2)15-13-23)11-9-20-16-21(26(29)31-25(18)20)17-22(28)10-8-19-6-4-3-5-7-19;1-17-23(29-22-10-12-26(2)13-11-22)9-8-19-15-20(25(28)30-24(17)19)16-21(27)14-18-6-4-3-5-7-18;1-16-22(28-21-9-11-25(2)12-10-21)8-7-18-14-19(24(27)29-23(16)18)15-20(26)13-17-5-3-4-6-17;1-16-20(29-19-6-8-24(2)9-7-19)5-4-17-14-18(23(28)30-22(16)17)15-21(27)26-12-10-25(3)11-13-26;1-15-20(27-19-8-10-24(5)11-9-19)7-6-16-12-17(22(26)28-21(15)16)13-18(25)14-23(2,3)4/h3-14,19,28H,15-18,20-22H2,1-2H3;3-4,14,18-19,21-22,25-26H,5-13,15-16H2,1-2H3;4-10,15,22H,11-14,16-17H2,1-3H3;3-7,9,11,16,23H,8,10,12-15,17H2,1-2H3;8-9,15,18,22H,3-7,10-14,16H2,1-2H3;7-8,14,17,21H,3-6,9-13,15H2,1-2H3;4-5,14,19H,6-13,15H2,1-3H3;6-7,12,19H,8-11,13-14H2,1-5H3.
What are the key properties of 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one?
3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one has a molecular weight of 3436.39 g/mol, XLogP of 33.52, 48 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-adamantyl)-2-oxopropyl]-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N-benzyl-N-methyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(3-cyclohexyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;3-(3-cyclopentyl-2-oxopropyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;N,N-dibenzyl-2-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]acetamide;3-(4,4-dimethyl-2-oxopentyl)-8-methyl-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-7-(1-methylpiperidin-4-yl)oxychromen-2-one;8-methyl-7-(1-methylpiperidin-4-yl)oxy-3-(2-oxo-4-phenylbutyl)chromen-2-one is sourced from PubChem (CID 157169106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).