1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide

C18H27N3O4S — CID 91629757

IUPAC1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(c2cccnc2)C2CCOCC2)CC1
InChIInChI=1S/C18H27N3O4S/c1-26(23,24)21-9-4-15(5-10-21)18(22)20-17(14-6-11-25-12-7-14)16-3-2-8-19-13-16/h2-3,8,13-15,17H,4-7,9-12H2,1H3,(H,20,22)
InChIKeyZPHOGQTUDVXIQU-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.34
Rot. Bonds5

About 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 91629757) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide
PubChem CID91629757
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC(c2cccnc2)C2CCOCC2)CC1
InChIInChI=1S/C18H27N3O4S/c1-26(23,24)21-9-4-15(5-10-21)18(22)20-17(14-6-11-25-12-7-14)16-3-2-8-19-13-16/h2-3,8,13-15,17H,4-7,9-12H2,1H3,(H,20,22)
InChIKeyZPHOGQTUDVXIQU-UHFFFAOYSA-N
XLogP1.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzylsulfonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1444961
1-(ethylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3240501
1-(morpholin-4-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3240216
1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 646221
1-(propylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3244406
1-[(4-methylpiperidin-1-yl)sulfonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4063309
2-(2,4-difluorophenyl)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 91629817
[(S)-(3-pyridyl)(tetrahydro-4H-pyran-4-yl)methyl](3,3,3-trifluoropropylsulfonyl)amine
CID 100702856
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 172438404
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 56682746
4-phenyl-N-((1-(pyridin-3-ylsulfonyl)piperidin-4-yl)methyl)tetrahydro-2H-pyran-4-carboxamide
CID 71786666
N-[2-(3-pyridinyl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72852783

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide (CID 91629757) is 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC(c2cccnc2)C2CCOCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZPHOGQTUDVXIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-26(23,24)21-9-4-15(5-10-21)18(22)20-17(14-6-11-25-12-7-14)16-3-2-8-19-13-16/h2-3,8,13-15,17H,4-7,9-12H2,1H3,(H,20,22).
What are the key properties of 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91629757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).