About N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710385) has the molecular formula C32H34FN5O3
and a molecular weight of 555.65 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide |
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| PubChem CID | 66710385 |
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| Molecular Formula | C32H34FN5O3 |
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| Molecular Weight | 555.65 g/mol |
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| Exact Mass | 555.26 |
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| IUPAC Name | N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide |
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| SMILES | N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(O)c5ccc(F)cc5)CC4)cn3)CC2)cc1 |
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| InChI | InChI=1S/C32H34FN5O3/c33-27-8-5-24(6-9-27)30(39)25-11-17-38(18-12-25)32(41)26-7-10-29(35-20-26)31(40)36-28-13-15-37(16-14-28)21-23-3-1-22(19-34)2-4-23/h1-10,20,25,28,30,39H,11-18,21H2,(H,36,40) |
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| InChIKey | WNLKAYDTKKISBN-UHFFFAOYSA-N |
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| XLogP | 4.07 |
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| TPSA | 109.56 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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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 | 555.65 |
| LogP ≤ 5 | 4.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710385) is N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide is N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is WNLKAYDTKKISBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O3/c33-27-8-5-24(6-9-27)30(39)25-11-17-38(18-12-25)32(41)26-7-10-29(35-20-26)31(40)36-28-13-15-37(16-14-28)21-23-3-1-22(19-34)2-4-23/h1-10,20,25,28,30,39H,11-18,21H2,(H,36,40).
What are the key properties of N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 555.65 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).