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

C22H29N3O3S — CID 44565250

IUPAC2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(c2ccccn2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-16-29(27,28)25-14-11-22(12-15-25,20-10-6-7-13-23-20)17-24-21(26)19-9-5-4-8-18(19)2/h4-10,13H,3,11-12,14-17H2,1-2H3,(H,24,26)
InChIKeyOYKIGFJPIHBDQJ-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.89
Rot. Bonds7

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

2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 44565250) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID44565250
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(c2ccccn2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-16-29(27,28)25-14-11-22(12-15-25,20-10-6-7-13-23-20)17-24-21(26)19-9-5-4-8-18(19)2/h4-10,13H,3,11-12,14-17H2,1-2H3,(H,24,26)
InChIKeyOYKIGFJPIHBDQJ-UHFFFAOYSA-N
XLogP2.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (CID 44565250) is 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is OYKIGFJPIHBDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-16-29(27,28)25-14-11-22(12-15-25,20-10-6-7-13-23-20)17-24-21(26)19-9-5-4-8-18(19)2/h4-10,13H,3,11-12,14-17H2,1-2H3,(H,24,26).
What are the key properties of 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 44565250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).