About ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone (PubChem CID 144702650) has the molecular formula C40H92N6O4
and a molecular weight of 721.21 g/mol. Its IUPAC name is ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone.
Molecular Properties
| Compound Name | ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone |
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| PubChem CID | 144702650 |
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| Molecular Formula | C40H92N6O4 |
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| Molecular Weight | 721.21 g/mol |
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| Exact Mass | 720.72 |
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| IUPAC Name | ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone |
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| SMILES | CC.CC.CC.CC.CC.CC.CC.CN1CCC(C(=O)N2CCN(C3CCN(C(=O)N4CCOCC4)CC3)CC2)CC1.COCCN(C)C |
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| InChI | InChI=1S/C21H37N5O3.C5H13NO.7C2H6/c1-22-6-2-18(3-7-22)20(27)24-12-10-23(11-13-24)19-4-8-25(9-5-19)21(28)26-14-16-29-17-15-26;1-6(2)4-5-7-3;7*1-2/h18-19H,2-17H2,1H3;4-5H2,1-3H3;7*1-2H3 |
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| InChIKey | GEZNFTOYWOFLBT-UHFFFAOYSA-N |
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| XLogP | 7.77 |
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| TPSA | 72.04 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 721.21 |
| LogP ≤ 5 | 7.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone (CID 144702650) is ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone is CC.CC.CC.CC.CC.CC.CC.CN1CCC(C(=O)N2CCN(C3CCN(C(=O)N4CCOCC4)CC3)CC2)CC1.COCCN(C)C.
What is the InChIKey of ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is GEZNFTOYWOFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3.C5H13NO.7C2H6/c1-22-6-2-18(3-7-22)20(27)24-12-10-23(11-13-24)19-4-8-25(9-5-19)21(28)26-14-16-29-17-15-26;1-6(2)4-5-7-3;7*1-2/h18-19H,2-17H2,1H3;4-5H2,1-3H3;7*1-2H3.
What are the key properties of ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 721.21 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-N,N-dimethylethanamine;(1-methylpiperidin-4-yl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 144702650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).