6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C28H32FN3O3 — CID 67267448

IUPAC6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1CO
InChIInChI=1S/C28H32FN3O3/c1-19(2)35-27-9-6-20(14-23(27)18-33)17-32-12-10-25(11-13-32)31-28(34)22-7-8-26(30-16-22)21-4-3-5-24(29)15-21/h3-9,14-16,19,25,33H,10-13,17-18H2,1-2H3,(H,31,34)
InChIKeyLQHXFTYGDKUXFQ-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.56
Rot. Bonds8

About 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67267448) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67267448
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1CO
InChIInChI=1S/C28H32FN3O3/c1-19(2)35-27-9-6-20(14-23(27)18-33)17-32-12-10-25(11-13-32)31-28(34)22-7-8-26(30-16-22)21-4-3-5-24(29)15-21/h3-9,14-16,19,25,33H,10-13,17-18H2,1-2H3,(H,31,34)
InChIKeyLQHXFTYGDKUXFQ-UHFFFAOYSA-N
XLogP4.56
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67267448) is 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1CO.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LQHXFTYGDKUXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-19(2)35-27-9-6-20(14-23(27)18-33)17-32-12-10-25(11-13-32)31-28(34)22-7-8-26(30-16-22)21-4-3-5-24(29)15-21/h3-9,14-16,19,25,33H,10-13,17-18H2,1-2H3,(H,31,34).
What are the key properties of 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 477.58 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).