About N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide (PubChem CID 3865572) has the molecular formula C27H30ClN5O4
and a molecular weight of 524.02 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide |
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| PubChem CID | 3865572 |
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| Molecular Formula | C27H30ClN5O4 |
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| Molecular Weight | 524.02 g/mol |
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| Exact Mass | 523.20 |
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| IUPAC Name | N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide |
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| SMILES | Cc1oc(-c2ccccc2)nc1CC(=O)NC1(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CCNCC1 |
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| InChI | InChI=1S/C27H30ClN5O4/c1-18-22(32-25(37-18)20-5-3-2-4-6-20)17-23(34)33-27(11-13-29-14-12-27)26(36)31-16-15-30-24(35)19-7-9-21(28)10-8-19/h2-10,29H,11-17H2,1H3,(H,30,35)(H,31,36)(H,33,34) |
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| InChIKey | QCQLFHITHVDSCR-UHFFFAOYSA-N |
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| XLogP | 2.63 |
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| TPSA | 125.36 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 524.02 |
| LogP ≤ 5 | 2.63 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide (CID 3865572) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide is Cc1oc(-c2ccccc2)nc1CC(=O)NC1(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?
The InChIKey is QCQLFHITHVDSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O4/c1-18-22(32-25(37-18)20-5-3-2-4-6-20)17-23(34)33-27(11-13-29-14-12-27)26(36)31-16-15-30-24(35)19-7-9-21(28)10-8-19/h2-10,29H,11-17H2,1H3,(H,30,35)(H,31,36)(H,33,34).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide has a molecular weight of 524.02 g/mol, XLogP of 2.63, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 3865572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).