N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide

C15H22N2O3S — CID 62211718

IUPACN-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)14-5-3-13(4-6-14)17-15(18)7-2-12-8-10-16-11-9-12/h3-6,12,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyLWEQDDJKUMDIDB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.81
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide

N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 62211718) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
PubChem CID62211718
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)14-5-3-13(4-6-14)17-15(18)7-2-12-8-10-16-11-9-12/h3-6,12,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyLWEQDDJKUMDIDB-UHFFFAOYSA-N
XLogP1.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide (CID 62211718) is N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide is CS(=O)(=O)c1ccc(NC(=O)CCC2CCNCC2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is LWEQDDJKUMDIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)14-5-3-13(4-6-14)17-15(18)7-2-12-8-10-16-11-9-12/h3-6,12,16H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide?
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).