6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide

C29H32FN3O2 — CID 67267816

IUPAC6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C2CCC(O)(c3ccccc3)CC2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C29H32FN3O2/c30-24-8-4-5-21(19-24)27-10-9-22(20-31-27)28(34)32-25-13-17-33(18-14-25)26-11-15-29(35,16-12-26)23-6-2-1-3-7-23/h1-10,19-20,25-26,35H,11-18H2,(H,32,34)
InChIKeyKBGHEBMFQWTHHR-UHFFFAOYSA-N
MW473.59 g/mol
LogP4.91
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267816) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267816
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C2CCC(O)(c3ccccc3)CC2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C29H32FN3O2/c30-24-8-4-5-21(19-24)27-10-9-22(20-31-27)28(34)32-25-13-17-33(18-14-25)26-11-15-29(35,16-12-26)23-6-2-1-3-7-23/h1-10,19-20,25-26,35H,11-18H2,(H,32,34)
InChIKeyKBGHEBMFQWTHHR-UHFFFAOYSA-N
XLogP4.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide (CID 67267816) is 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C2CCC(O)(c3ccccc3)CC2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KBGHEBMFQWTHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c30-24-8-4-5-21(19-24)27-10-9-22(20-31-27)28(34)32-25-13-17-33(18-14-25)26-11-15-29(35,16-12-26)23-6-2-1-3-7-23/h1-10,19-20,25-26,35H,11-18H2,(H,32,34).
What are the key properties of 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 473.59 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-(4-hydroxy-4-phenylcyclohexyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).