About N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide
N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide (PubChem CID 157334731) has the molecular formula C32H48N6O4
and a molecular weight of 580.77 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide |
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| PubChem CID | 157334731 |
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| Molecular Formula | C32H48N6O4 |
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| Molecular Weight | 580.77 g/mol |
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| Exact Mass | 580.37 |
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| IUPAC Name | N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide |
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| SMILES | CNC1(C(=O)NCC(=O)c2ccccc2)CCN(C)CC1.CNC1(C(=O)NCC(O)c2ccccc2)CCN(C)CC1 |
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| InChI | InChI=1S/C16H25N3O2.C16H23N3O2/c2*1-17-16(8-10-19(2)11-9-16)15(21)18-12-14(20)13-6-4-3-5-7-13/h3-7,14,17,20H,8-12H2,1-2H3,(H,18,21);3-7,17H,8-12H2,1-2H3,(H,18,21) |
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| InChIKey | BFRZQCSAMMEIEI-UHFFFAOYSA-N |
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| XLogP | 1.19 |
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| TPSA | 126.04 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 580.77 |
| LogP ≤ 5 | 1.19 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide (CID 157334731) is N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide is CNC1(C(=O)NCC(=O)c2ccccc2)CCN(C)CC1.CNC1(C(=O)NCC(O)c2ccccc2)CCN(C)CC1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide?
The InChIKey is BFRZQCSAMMEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.C16H23N3O2/c2*1-17-16(8-10-19(2)11-9-16)15(21)18-12-14(20)13-6-4-3-5-7-13/h3-7,14,17,20H,8-12H2,1-2H3,(H,18,21);3-7,17H,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide?
N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide has a molecular weight of 580.77 g/mol, XLogP of 1.19, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-1-methyl-4-(methylamino)piperidine-4-carboxamide;1-methyl-4-(methylamino)-N-phenacylpiperidine-4-carboxamide is sourced from PubChem (CID 157334731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).