About N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide
N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide (PubChem CID 58576814) has the molecular formula C25H31ClF3N5O
and a molecular weight of 510.00 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide.
Molecular Properties
| Compound Name | N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide |
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| PubChem CID | 58576814 |
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| Molecular Formula | C25H31ClF3N5O |
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| Molecular Weight | 510.00 g/mol |
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| Exact Mass | 509.22 |
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| IUPAC Name | N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide |
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| SMILES | CN(CC1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1 |
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| InChI | InChI=1S/C25H31ClF3N5O/c1-32(17-18-7-12-33(13-8-18)22-4-2-19(26)3-5-22)24(35)34-14-9-20(10-15-34)31-21-6-11-30-23(16-21)25(27,28)29/h2-6,11,16,18,20H,7-10,12-15,17H2,1H3,(H,30,31) |
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| InChIKey | LSMZEIPYFJJFJQ-UHFFFAOYSA-N |
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| XLogP | 5.60 |
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| TPSA | 51.71 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 510.00 |
| LogP ≤ 5 | 5.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide (CID 58576814) is N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide is CN(CC1CCN(c2ccc(Cl)cc2)CC1)C(=O)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
The InChIKey is LSMZEIPYFJJFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClF3N5O/c1-32(17-18-7-12-33(13-8-18)22-4-2-19(26)3-5-22)24(35)34-14-9-20(10-15-34)31-21-6-11-30-23(16-21)25(27,28)29/h2-6,11,16,18,20H,7-10,12-15,17H2,1H3,(H,30,31).
What are the key properties of N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide?
N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide has a molecular weight of 510.00 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)piperidin-4-yl]methyl]-N-methyl-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 58576814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).