2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide

C15H23N3O3S — CID 75441135

IUPAC2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(c2ccncc2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-12(22(2,20)21)15(19)17-11-13-5-9-18(10-6-13)14-3-7-16-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeyWBITWYXCFWFUNZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.85
Rot. Bonds5

About 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide

2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide (PubChem CID 75441135) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
PubChem CID75441135
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CCN(c2ccncc2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H23N3O3S/c1-12(22(2,20)21)15(19)17-11-13-5-9-18(10-6-13)14-3-7-16-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeyWBITWYXCFWFUNZ-UHFFFAOYSA-N
XLogP0.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide (CID 75441135) is 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide is CC(C(=O)NCC1CCN(c2ccncc2)CC1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
The InChIKey is WBITWYXCFWFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(22(2,20)21)15(19)17-11-13-5-9-18(10-6-13)14-3-7-16-8-4-14/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide?
2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide has a molecular weight of 325.43 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 75441135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).