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

C22H29N3O3S — CID 44565251

IUPACN-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(c2cc(C)ccn2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-16-18(2)9-12-23-20)17-24-21(26)19-7-5-4-6-8-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26)
InChIKeyBMVNEMJFIMZYNW-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.89
Rot. Bonds7

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

N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide (PubChem CID 44565251) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
PubChem CID44565251
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(c2cc(C)ccn2)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-16-18(2)9-12-23-20)17-24-21(26)19-7-5-4-6-8-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26)
InChIKeyBMVNEMJFIMZYNW-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 N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide (CID 44565251) is N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(c2cc(C)ccn2)CC1.
What is the InChIKey of N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
The InChIKey is BMVNEMJFIMZYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-15-29(27,28)25-13-10-22(11-14-25,20-16-18(2)9-12-23-20)17-24-21(26)19-7-5-4-6-8-19/h4-9,12,16H,3,10-11,13-15,17H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide?
N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-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 N-[[4-(4-methyl-2-pyridinyl)-1-propylsulfonylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 44565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).