6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide

C30H33FN4O5S — CID 122486214

IUPAC6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(F)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C30H33FN4O5S/c1-41(38,39)27-9-5-24(6-10-27)34-16-12-23(13-17-34)33-29(36)21-2-11-28(32-20-21)30(37)35-18-14-26(15-19-35)40-25-7-3-22(31)4-8-25/h2-11,20,23,26H,12-19H2,1H3,(H,33,36)
InChIKeyIZSFSMTTYFZCDP-UHFFFAOYSA-N
MW580.68 g/mol
LogP3.71
Rot. Bonds7

About 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide

6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 122486214) has the molecular formula C30H33FN4O5S and a molecular weight of 580.68 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID122486214
Molecular FormulaC30H33FN4O5S
Molecular Weight580.68 g/mol
Exact Mass580.22
IUPAC Name6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(F)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C30H33FN4O5S/c1-41(38,39)27-9-5-24(6-10-27)34-16-12-23(13-17-34)33-29(36)21-2-11-28(32-20-21)30(37)35-18-14-26(15-19-35)40-25-7-3-22(31)4-8-25/h2-11,20,23,26H,12-19H2,1H3,(H,33,36)
InChIKeyIZSFSMTTYFZCDP-UHFFFAOYSA-N
XLogP3.71
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.68
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide (CID 122486214) is 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide is CS(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(F)cc5)CC4)nc3)CC2)cc1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is IZSFSMTTYFZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O5S/c1-41(38,39)27-9-5-24(6-10-27)34-16-12-23(13-17-34)33-29(36)21-2-11-28(32-20-21)30(37)35-18-14-26(15-19-35)40-25-7-3-22(31)4-8-25/h2-11,20,23,26H,12-19H2,1H3,(H,33,36).
What are the key properties of 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide?
6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 580.68 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 122486214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).