About 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one
3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one (PubChem CID 25205921) has the molecular formula C33H46N6O3
and a molecular weight of 574.77 g/mol. Its IUPAC name is 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one.
Molecular Properties
| Compound Name | 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one |
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| PubChem CID | 25205921 |
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| Molecular Formula | C33H46N6O3 |
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| Molecular Weight | 574.77 g/mol |
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| Exact Mass | 574.36 |
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| IUPAC Name | 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one |
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| SMILES | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)CC3c3ccccc3)CC2)CC1 |
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| InChI | InChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3 |
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| InChIKey | LEIJVPCQIOHXMZ-UHFFFAOYSA-N |
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| XLogP | 4.46 |
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| TPSA | 82.11 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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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 | 574.77 |
| LogP ≤ 5 | 4.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
The IUPAC name of 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one (CID 25205921) is 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
The canonical SMILES for 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one is Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)CC3c3ccccc3)CC2)CC1.
What is the InChIKey of 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
The InChIKey is LEIJVPCQIOHXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3.
What are the key properties of 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one has a molecular weight of 574.77 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 25205921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).