tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one

C73H90N4O17 — CID 159063260

IUPACtris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one
SMILESCOc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccccc1.COc1cc(C)cc(O)c1C(CC(=O)N1CCN(C)C(C)C1)c1ccccc1.COc1cc(O)c(C(CC(=O)N2CC(C)OC(C)C2)c2ccccc2)c(OC)c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H31NO3.C23H30N2O3.C23H29NO5.3CO2/c1-16-11-21(26)24(22(12-16)28-4)20(19-8-6-5-7-9-19)13-23(27)25-14-17(2)10-18(3)15-25;1-16-12-20(26)23(21(13-16)28-4)19(18-8-6-5-7-9-18)14-22(27)25-11-10-24(3)17(2)15-25;1-15-13-24(14-16(2)29-15)22(26)12-19(17-8-6-5-7-9-17)23-20(25)10-18(27-3)11-21(23)28-4;3*2-1-3/h5-9,11-12,17-18,20,26H,10,13-15H2,1-4H3;5-9,12-13,17,19,26H,10-11,14-15H2,1-4H3;5-11,15-16,19,25H,12-14H2,1-4H3;;;
InChIKeyJYSTWZSJVCOQLS-UHFFFAOYSA-N
MW1295.53 g/mol
LogP9.95
Rot. Bonds16

About tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one

tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one (PubChem CID 159063260) has the molecular formula C73H90N4O17 and a molecular weight of 1295.53 g/mol. Its IUPAC name is tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Nametris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one
PubChem CID159063260
Molecular FormulaC73H90N4O17
Molecular Weight1295.53 g/mol
Exact Mass1294.63
IUPAC Nametris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one
SMILESCOc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccccc1.COc1cc(C)cc(O)c1C(CC(=O)N1CCN(C)C(C)C1)c1ccccc1.COc1cc(O)c(C(CC(=O)N2CC(C)OC(C)C2)c2ccccc2)c(OC)c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C24H31NO3.C23H30N2O3.C23H29NO5.3CO2/c1-16-11-21(26)24(22(12-16)28-4)20(19-8-6-5-7-9-19)13-23(27)25-14-17(2)10-18(3)15-25;1-16-12-20(26)23(21(13-16)28-4)19(18-8-6-5-7-9-18)14-22(27)25-11-10-24(3)17(2)15-25;1-15-13-24(14-16(2)29-15)22(26)12-19(17-8-6-5-7-9-17)23-20(25)10-18(27-3)11-21(23)28-4;3*2-1-3/h5-9,11-12,17-18,20,26H,10,13-15H2,1-4H3;5-9,12-13,17,19,26H,10-11,14-15H2,1-4H3;5-11,15-16,19,25H,12-14H2,1-4H3;;;
InChIKeyJYSTWZSJVCOQLS-UHFFFAOYSA-N
XLogP9.95
TPSA273.43 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.53
LogP ≤ 59.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one (CID 159063260) is tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one is COc1cc(C)cc(O)c1C(CC(=O)N1CC(C)CC(C)C1)c1ccccc1.COc1cc(C)cc(O)c1C(CC(=O)N1CCN(C)C(C)C1)c1ccccc1.COc1cc(O)c(C(CC(=O)N2CC(C)OC(C)C2)c2ccccc2)c(OC)c1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is JYSTWZSJVCOQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3.C23H30N2O3.C23H29NO5.3CO2/c1-16-11-21(26)24(22(12-16)28-4)20(19-8-6-5-7-9-19)13-23(27)25-14-17(2)10-18(3)15-25;1-16-12-20(26)23(21(13-16)28-4)19(18-8-6-5-7-9-18)14-22(27)25-11-10-24(3)17(2)15-25;1-15-13-24(14-16(2)29-15)22(26)12-19(17-8-6-5-7-9-17)23-20(25)10-18(27-3)11-21(23)28-4;3*2-1-3/h5-9,11-12,17-18,20,26H,10,13-15H2,1-4H3;5-9,12-13,17,19,26H,10-11,14-15H2,1-4H3;5-11,15-16,19,25H,12-14H2,1-4H3;;;.
What are the key properties of tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one?
tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 1295.53 g/mol, XLogP of 9.95, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);1-(2,6-dimethylmorpholin-4-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one;1-(3,4-dimethylpiperazin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one;1-(3,5-dimethylpiperidin-1-yl)-3-(2-hydroxy-6-methoxy-4-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 159063260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).