ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine

C124H157N13O11 — CID 158132553

IUPACethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC.CC(C)C1CCN(C(=O)N2CCOCC2)CC1.CC(C)C1CCN(C(=O)c2ccccc2)CC1.CC(C)c1cc(OC2CCOCC2)ccn1.CC(C)c1ccc(Oc2ccccn2)cc1.CC(C)c1ccc(Oc2cccnc2)cc1.CC(C)c1ccc(Oc2cccnn2)cc1.CC(C)c1ccc(Oc2ccncc2)cc1.CC(C)c1ccc(Oc2ccncn2)cc1.CC(C)c1ccc(Oc2ccnnc2)cc1
InChIInChI=1S/C15H21NO.3C14H15NO.C13H24N2O2.3C13H14N2O.C13H19NO2.C2H6/c1-12(2)13-8-10-16(11-9-13)15(17)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)16-14-7-9-15-10-8-14;1-11(2)12-5-7-13(8-6-12)16-14-4-3-9-15-10-14;1-11(2)12-6-8-13(9-7-12)16-14-5-3-4-10-15-14;1-11(2)12-3-5-14(6-4-12)13(16)15-7-9-17-10-8-15;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-9-15-13;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-15-9-13;1-10(2)11-5-7-12(8-6-11)16-13-4-3-9-14-15-13;1-10(2)13-9-12(3-6-14-13)16-11-4-7-15-8-5-11;1-2/h3-7,12-13H,8-11H2,1-2H3;3*3-11H,1-2H3;11-12H,3-10H2,1-2H3;3*3-10H,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;1-2H3
InChIKeyFSYMVWFGQROWBK-UHFFFAOYSA-N
MW2005.70 g/mol
LogP30.96
Rot. Bonds24

About ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine

ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine (PubChem CID 158132553) has the molecular formula C124H157N13O11 and a molecular weight of 2005.70 g/mol. Its IUPAC name is ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine.

Molecular Properties

Compound Nameethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
PubChem CID158132553
Molecular FormulaC124H157N13O11
Molecular Weight2005.70 g/mol
Exact Mass2004.21
IUPAC Nameethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine
SMILESCC.CC(C)C1CCN(C(=O)N2CCOCC2)CC1.CC(C)C1CCN(C(=O)c2ccccc2)CC1.CC(C)c1cc(OC2CCOCC2)ccn1.CC(C)c1ccc(Oc2ccccn2)cc1.CC(C)c1ccc(Oc2cccnc2)cc1.CC(C)c1ccc(Oc2cccnn2)cc1.CC(C)c1ccc(Oc2ccncc2)cc1.CC(C)c1ccc(Oc2ccncn2)cc1.CC(C)c1ccc(Oc2ccnnc2)cc1
InChIInChI=1S/C15H21NO.3C14H15NO.C13H24N2O2.3C13H14N2O.C13H19NO2.C2H6/c1-12(2)13-8-10-16(11-9-13)15(17)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)16-14-7-9-15-10-8-14;1-11(2)12-5-7-13(8-6-12)16-14-4-3-9-15-10-14;1-11(2)12-6-8-13(9-7-12)16-14-5-3-4-10-15-14;1-11(2)12-3-5-14(6-4-12)13(16)15-7-9-17-10-8-15;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-9-15-13;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-15-9-13;1-10(2)11-5-7-12(8-6-11)16-13-4-3-9-14-15-13;1-10(2)13-9-12(3-6-14-13)16-11-4-7-15-8-5-11;1-2/h3-7,12-13H,8-11H2,1-2H3;3*3-11H,1-2H3;11-12H,3-10H2,1-2H3;3*3-10H,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;1-2H3
InChIKeyFSYMVWFGQROWBK-UHFFFAOYSA-N
XLogP30.96
TPSA255.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.70
LogP ≤ 530.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine 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 ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
The IUPAC name of ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine (CID 158132553) is ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine.
What is the SMILES notation for ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
The canonical SMILES for ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine is CC.CC(C)C1CCN(C(=O)N2CCOCC2)CC1.CC(C)C1CCN(C(=O)c2ccccc2)CC1.CC(C)c1cc(OC2CCOCC2)ccn1.CC(C)c1ccc(Oc2ccccn2)cc1.CC(C)c1ccc(Oc2cccnc2)cc1.CC(C)c1ccc(Oc2cccnn2)cc1.CC(C)c1ccc(Oc2ccncc2)cc1.CC(C)c1ccc(Oc2ccncn2)cc1.CC(C)c1ccc(Oc2ccnnc2)cc1.
What is the InChIKey of ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
The InChIKey is FSYMVWFGQROWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.3C14H15NO.C13H24N2O2.3C13H14N2O.C13H19NO2.C2H6/c1-12(2)13-8-10-16(11-9-13)15(17)14-6-4-3-5-7-14;1-11(2)12-3-5-13(6-4-12)16-14-7-9-15-10-8-14;1-11(2)12-5-7-13(8-6-12)16-14-4-3-9-15-10-14;1-11(2)12-6-8-13(9-7-12)16-14-5-3-4-10-15-14;1-11(2)12-3-5-14(6-4-12)13(16)15-7-9-17-10-8-15;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-9-15-13;1-10(2)11-3-5-12(6-4-11)16-13-7-8-14-15-9-13;1-10(2)11-5-7-12(8-6-11)16-13-4-3-9-14-15-13;1-10(2)13-9-12(3-6-14-13)16-11-4-7-15-8-5-11;1-2/h3-7,12-13H,8-11H2,1-2H3;3*3-11H,1-2H3;11-12H,3-10H2,1-2H3;3*3-10H,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine?
ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine has a molecular weight of 2005.70 g/mol, XLogP of 30.96, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;morpholin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone;4-(oxan-4-yloxy)-2-propan-2-ylpyridine;phenyl-(4-propan-2-ylpiperidin-1-yl)methanone;3-(4-propan-2-ylphenoxy)pyridazine;4-(4-propan-2-ylphenoxy)pyridazine;2-(4-propan-2-ylphenoxy)pyridine;3-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyridine;4-(4-propan-2-ylphenoxy)pyrimidine is sourced from PubChem (CID 158132553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).