3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide

C23H31N3O4S — CID 55694410

IUPAC3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)CC1
InChIInChI=1S/C23H31N3O4S/c1-4-12-31(28,29)26-10-7-21(8-11-26)25-23(27)20-13-17(2)22(18(3)14-20)30-16-19-6-5-9-24-15-19/h5-6,9,13-15,21H,4,7-8,10-12,16H2,1-3H3,(H,25,27)
InChIKeyIRLWQGBSJUIBRA-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.21
Rot. Bonds8

About 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide

3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55694410) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55694410
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)CC1
InChIInChI=1S/C23H31N3O4S/c1-4-12-31(28,29)26-10-7-21(8-11-26)25-23(27)20-13-17(2)22(18(3)14-20)30-16-19-6-5-9-24-15-19/h5-6,9,13-15,21H,4,7-8,10-12,16H2,1-3H3,(H,25,27)
InChIKeyIRLWQGBSJUIBRA-UHFFFAOYSA-N
XLogP3.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46474744
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119604417
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-(1-ethylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30853915
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 39717853
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide (CID 55694410) is 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide is CCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)CC1.
What is the InChIKey of 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is IRLWQGBSJUIBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-4-12-31(28,29)26-10-7-21(8-11-26)25-23(27)20-13-17(2)22(18(3)14-20)30-16-19-6-5-9-24-15-19/h5-6,9,13-15,21H,4,7-8,10-12,16H2,1-3H3,(H,25,27).
What are the key properties of 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide?
3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 445.59 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55694410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).