N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

C21H27N3O3S — CID 44565248

IUPACN-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(c2ccccn2)CC1
InChIInChI=1S/C21H27N3O3S/c1-2-16-28(26,27)24-14-11-21(12-15-24,19-10-6-7-13-22-19)17-23-20(25)18-8-4-3-5-9-18/h3-10,13H,2,11-12,14-17H2,1H3,(H,23,25)
InChIKeyUREXWGJJSIIBBU-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.59
Rot. Bonds7

About N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 44565248) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID44565248
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(c2ccccn2)CC1
InChIInChI=1S/C21H27N3O3S/c1-2-16-28(26,27)24-14-11-21(12-15-24,19-10-6-7-13-22-19)17-23-20(25)18-8-4-3-5-9-18/h3-10,13H,2,11-12,14-17H2,1H3,(H,23,25)
InChIKeyUREXWGJJSIIBBU-UHFFFAOYSA-N
XLogP2.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (CID 44565248) is N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(c2ccccn2)CC1.
What is the InChIKey of N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is UREXWGJJSIIBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-16-28(26,27)24-14-11-21(12-15-24,19-10-6-7-13-22-19)17-23-20(25)18-8-4-3-5-9-18/h3-10,13H,2,11-12,14-17H2,1H3,(H,23,25).
What are the key properties of N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 44565248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).