About N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 129105406) has the molecular formula C25H33F3N4O2S
and a molecular weight of 510.63 g/mol. Its IUPAC name is N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide |
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| PubChem CID | 129105406 |
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| Molecular Formula | C25H33F3N4O2S |
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| Molecular Weight | 510.63 g/mol |
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| Exact Mass | 510.23 |
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| IUPAC Name | N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide |
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| SMILES | Cc1nc(CC2CNCCC2CCN(C(=O)C2CCNCC2)c2ccc(OC(F)(F)F)cc2)cs1 |
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| InChI | InChI=1S/C25H33F3N4O2S/c1-17-31-21(16-35-17)14-20-15-30-12-6-18(20)9-13-32(24(33)19-7-10-29-11-8-19)22-2-4-23(5-3-22)34-25(26,27)28/h2-5,16,18-20,29-30H,6-15H2,1H3 |
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| InChIKey | YAOVWXSDODRDDO-UHFFFAOYSA-N |
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| XLogP | 4.54 |
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| TPSA | 66.49 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 510.63 |
| LogP ≤ 5 | 4.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 129105406) is N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is Cc1nc(CC2CNCCC2CCN(C(=O)C2CCNCC2)c2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is YAOVWXSDODRDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O2S/c1-17-31-21(16-35-17)14-20-15-30-12-6-18(20)9-13-32(24(33)19-7-10-29-11-8-19)22-2-4-23(5-3-22)34-25(26,27)28/h2-5,16,18-20,29-30H,6-15H2,1H3.
What are the key properties of N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 510.63 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 129105406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).