2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide

C23H37N3O3S — CID 44564709

IUPAC2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(C2CCCCN2C)CC1
InChIInChI=1S/C23H37N3O3S/c1-4-17-30(28,29)26-15-12-23(13-16-26,21-11-7-8-14-25(21)3)18-24-22(27)20-10-6-5-9-19(20)2/h5-6,9-10,21H,4,7-8,11-18H2,1-3H3,(H,24,27)
InChIKeySWVVSDXPKAMGBO-UHFFFAOYSA-N
MW435.63 g/mol
LogP3.03
Rot. Bonds7

About 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide

2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide (PubChem CID 44564709) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
PubChem CID44564709
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC Name2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(C2CCCCN2C)CC1
InChIInChI=1S/C23H37N3O3S/c1-4-17-30(28,29)26-15-12-23(13-16-26,21-11-7-8-14-25(21)3)18-24-22(27)20-10-6-5-9-19(20)2/h5-6,9-10,21H,4,7-8,11-18H2,1-3H3,(H,24,27)
InChIKeySWVVSDXPKAMGBO-UHFFFAOYSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide (CID 44564709) is 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)(C2CCCCN2C)CC1.
What is the InChIKey of 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The InChIKey is SWVVSDXPKAMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-4-17-30(28,29)26-15-12-23(13-16-26,21-11-7-8-14-25(21)3)18-24-22(27)20-10-6-5-9-19(20)2/h5-6,9-10,21H,4,7-8,11-18H2,1-3H3,(H,24,27).
What are the key properties of 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide has a molecular weight of 435.63 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(1-methylpiperidin-2-yl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 44564709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).