2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C19H28N2O4S — CID 165432011

IUPAC2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCS(=O)(=O)c1ccc(N2CCC(CC(=O)NC3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-26(23,24)18-4-2-17(3-5-18)21-10-6-15(7-11-21)14-19(22)20-16-8-12-25-13-9-16/h2-5,15-16H,6-14H2,1H3,(H,20,22)
InChIKeyZWMCMRUAACGQGU-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 165432011) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID165432011
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCS(=O)(=O)c1ccc(N2CCC(CC(=O)NC3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-26(23,24)18-4-2-17(3-5-18)21-10-6-15(7-11-21)14-19(22)20-16-8-12-25-13-9-16/h2-5,15-16H,6-14H2,1H3,(H,20,22)
InChIKeyZWMCMRUAACGQGU-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381
4-[3-[1-(4-methylsulfonylphenyl)piperidin-4-yl]propyl]morpholine
CID 133452834
methyl 4-[[2-[1-[4-(aminomethyl)phenyl]piperidin-4-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 139645833
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylacetamide
CID 46294933
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431724
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
CID 51099314
N-cyclopropyl-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 651633
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
2-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431697

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 165432011) is 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is CS(=O)(=O)c1ccc(N2CCC(CC(=O)NC3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is ZWMCMRUAACGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-26(23,24)18-4-2-17(3-5-18)21-10-6-15(7-11-21)14-19(22)20-16-8-12-25-13-9-16/h2-5,15-16H,6-14H2,1H3,(H,20,22).
What are the key properties of 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 165432011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).