6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C32H35FN4O4 — CID 66710670

IUPAC6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H35FN4O4/c1-22(38)24-4-9-28(10-5-24)41-29-14-18-37(19-15-29)32(40)30-11-6-25(20-34-30)31(39)35-27-12-16-36(17-13-27)21-23-2-7-26(33)8-3-23/h2-11,20,27,29H,12-19,21H2,1H3,(H,35,39)
InChIKeyKSGRCIGWEWONAI-UHFFFAOYSA-N
MW558.65 g/mol
LogP4.50
Rot. Bonds8

About 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 66710670) has the molecular formula C32H35FN4O4 and a molecular weight of 558.65 g/mol. Its IUPAC name is 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID66710670
Molecular FormulaC32H35FN4O4
Molecular Weight558.65 g/mol
Exact Mass558.26
IUPAC Name6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H35FN4O4/c1-22(38)24-4-9-28(10-5-24)41-29-14-18-37(19-15-29)32(40)30-11-6-25(20-34-30)31(39)35-27-12-16-36(17-13-27)21-23-2-7-26(33)8-3-23/h2-11,20,27,29H,12-19,21H2,1H3,(H,35,39)
InChIKeyKSGRCIGWEWONAI-UHFFFAOYSA-N
XLogP4.50
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.65
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 66710670) is 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is CC(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KSGRCIGWEWONAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O4/c1-22(38)24-4-9-28(10-5-24)41-29-14-18-37(19-15-29)32(40)30-11-6-25(20-34-30)31(39)35-27-12-16-36(17-13-27)21-23-2-7-26(33)8-3-23/h2-11,20,27,29H,12-19,21H2,1H3,(H,35,39).
What are the key properties of 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 558.65 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetylphenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66710670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).