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

C32H36FN5O4 — CID 66710323

IUPAC6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H36FN5O4/c1-22(39)35-26-7-9-28(10-8-26)42-29-14-18-38(19-15-29)32(41)30-11-4-24(20-34-30)31(40)36-27-12-16-37(17-13-27)21-23-2-5-25(33)6-3-23/h2-11,20,27,29H,12-19,21H2,1H3,(H,35,39)(H,36,40)
InChIKeyYQMZZWAQXKEZOB-UHFFFAOYSA-N
MW573.67 g/mol
LogP4.26
Rot. Bonds8

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

6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 66710323) has the molecular formula C32H36FN5O4 and a molecular weight of 573.67 g/mol. Its IUPAC name is 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID66710323
Molecular FormulaC32H36FN5O4
Molecular Weight573.67 g/mol
Exact Mass573.28
IUPAC Name6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C32H36FN5O4/c1-22(39)35-26-7-9-28(10-8-26)42-29-14-18-38(19-15-29)32(41)30-11-4-24(20-34-30)31(40)36-27-12-16-37(17-13-27)21-23-2-5-25(33)6-3-23/h2-11,20,27,29H,12-19,21H2,1H3,(H,35,39)(H,36,40)
InChIKeyYQMZZWAQXKEZOB-UHFFFAOYSA-N
XLogP4.26
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.67
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 66710323) is 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is CC(=O)Nc1ccc(OC2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is YQMZZWAQXKEZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5O4/c1-22(39)35-26-7-9-28(10-8-26)42-29-14-18-38(19-15-29)32(41)30-11-4-24(20-34-30)31(40)36-27-12-16-37(17-13-27)21-23-2-5-25(33)6-3-23/h2-11,20,27,29H,12-19,21H2,1H3,(H,35,39)(H,36,40).
What are the key properties of 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 573.67 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetamidophenoxy)piperidine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66710323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).