N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C25H27N3O4S — CID 72712060

IUPACN-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-33(30,31)24-7-5-19(6-8-24)18-32-23-4-2-3-21(17-23)27-25(29)20-11-15-28(16-12-20)22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16,18H2,1H3,(H,27,29)
InChIKeyBPDDZCPQEDDEQM-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.92
Rot. Bonds7

About N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 72712060) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID72712060
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-33(30,31)24-7-5-19(6-8-24)18-32-23-4-2-3-21(17-23)27-25(29)20-11-15-28(16-12-20)22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16,18H2,1H3,(H,27,29)
InChIKeyBPDDZCPQEDDEQM-UHFFFAOYSA-N
XLogP3.92
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 72712060) is N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is CS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1.
What is the InChIKey of N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is BPDDZCPQEDDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-33(30,31)24-7-5-19(6-8-24)18-32-23-4-2-3-21(17-23)27-25(29)20-11-15-28(16-12-20)22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16,18H2,1H3,(H,27,29).
What are the key properties of N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72712060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).