About methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate
methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 25206071) has the molecular formula C35H49N7O4
and a molecular weight of 631.82 g/mol. Its IUPAC name is methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate.
Molecular Properties
| Compound Name | methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate |
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| PubChem CID | 25206071 |
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| Molecular Formula | C35H49N7O4 |
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| Molecular Weight | 631.82 g/mol |
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| Exact Mass | 631.38 |
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| IUPAC Name | methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate |
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| SMILES | COC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 |
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| InChI | InChI=1S/C35H49N7O4/c1-25-31(26(2)37-24-36-25)32(43)38-20-14-35(3,15-21-38)41-18-12-29(13-19-41)42-30(28-8-6-5-7-9-28)23-40(33(42)44)22-27-10-16-39(17-11-27)34(45)46-4/h5-9,24,27,29-30H,10-23H2,1-4H3/t30-/m0/s1 |
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| InChIKey | HMSKCYWJITUINI-PMERELPUSA-N |
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| XLogP | 4.51 |
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| TPSA | 102.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 631.82 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate with MolForge
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Frequently Asked Questions
What is the IUPAC name of methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate (CID 25206071) is methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate is COC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1.
What is the InChIKey of methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is HMSKCYWJITUINI-PMERELPUSA-N. The full InChI is InChI=1S/C35H49N7O4/c1-25-31(26(2)37-24-36-25)32(43)38-20-14-35(3,15-21-38)41-18-12-29(13-19-41)42-30(28-8-6-5-7-9-28)23-40(33(42)44)22-27-10-16-39(17-11-27)34(45)46-4/h5-9,24,27,29-30H,10-23H2,1-4H3/t30-/m0/s1.
What are the key properties of methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate?
methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 631.82 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-2-oxo-4-phenylimidazolidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 25206071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).