About 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 70690613) has the molecular formula C32H42N6O3
and a molecular weight of 558.73 g/mol. Its IUPAC name is 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.
Molecular Properties
| Compound Name | 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide |
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| PubChem CID | 70690613 |
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| Molecular Formula | C32H42N6O3 |
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| Molecular Weight | 558.73 g/mol |
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| Exact Mass | 558.33 |
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| IUPAC Name | 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide |
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| SMILES | O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 |
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| InChI | InChI=1S/C32H42N6O3/c39-30(36-19-13-25(14-20-36)35-17-7-2-8-18-35)28(23-24-9-3-1-4-10-24)34-31(40)37-21-15-26(16-22-37)38-29-12-6-5-11-27(29)33-32(38)41/h1,3-6,9-12,25-26,28H,2,7-8,13-23H2,(H,33,41)(H,34,40)/t28-/m1/s1 |
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| InChIKey | DUNNNDWSCKYRHN-MUUNZHRXSA-N |
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| XLogP | 3.76 |
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| TPSA | 93.68 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 558.73 |
| LogP ≤ 5 | 3.76 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide (CID 70690613) is 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is DUNNNDWSCKYRHN-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H42N6O3/c39-30(36-19-13-25(14-20-36)35-17-7-2-8-18-35)28(23-24-9-3-1-4-10-24)34-31(40)37-21-15-26(16-22-37)38-29-12-6-5-11-27(29)33-32(38)41/h1,3-6,9-12,25-26,28H,2,7-8,13-23H2,(H,33,41)(H,34,40)/t28-/m1/s1.
What are the key properties of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide?
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 558.73 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 70690613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).