1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide

C25H26FN3O4S — CID 55800492

IUPAC1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C25H26FN3O4S/c26-22-7-9-23(10-8-22)33-24-11-6-20(16-27-24)17-28-25(30)21-12-14-29(15-13-21)34(31,32)18-19-4-2-1-3-5-19/h1-11,16,21H,12-15,17-18H2,(H,28,30)
InChIKeyNOGZXBZNSFATIO-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.87
Rot. Bonds8

About 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 55800492) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID55800492
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C25H26FN3O4S/c26-22-7-9-23(10-8-22)33-24-11-6-20(16-27-24)17-28-25(30)21-12-14-29(15-13-21)34(31,32)18-19-4-2-1-3-5-19/h1-11,16,21H,12-15,17-18H2,(H,28,30)
InChIKeyNOGZXBZNSFATIO-UHFFFAOYSA-N
XLogP3.87
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromophenyl)methylsulfonyl]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxamide
CID 43907496
1-[(4-fluorophenyl)methylsulfonyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 38006078
1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 30391483
methyl 1-[N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111254239
1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 30388912
1-[(4-fluorophenyl)methylsulfonyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 70702727
1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
1-benzylsulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 28636356
1-(4-fluorophenyl)sulfonyl-N-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 118413639
1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
CID 55781036
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 55800492) is 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is NOGZXBZNSFATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c26-22-7-9-23(10-8-22)33-24-11-6-20(16-27-24)17-28-25(30)21-12-14-29(15-13-21)34(31,32)18-19-4-2-1-3-5-19/h1-11,16,21H,12-15,17-18H2,(H,28,30).
What are the key properties of 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55800492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).