2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide

C19H26N4O4S — CID 25453592

IUPAC2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCCn2cccn2)CC1
InChIInChI=1S/C19H26N4O4S/c1-28(25,26)23-14-8-16(9-15-23)27-18-7-3-2-6-17(18)19(24)20-10-4-12-22-13-5-11-21-22/h2-3,5-7,11,13,16H,4,8-10,12,14-15H2,1H3,(H,20,24)
InChIKeyUDRBGDBQGSQESZ-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.51
Rot. Bonds8

About 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide

2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 25453592) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID25453592
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCCn2cccn2)CC1
InChIInChI=1S/C19H26N4O4S/c1-28(25,26)23-14-8-16(9-15-23)27-18-7-3-2-6-17(18)19(24)20-10-4-12-22-13-5-11-21-22/h2-3,5-7,11,13,16H,4,8-10,12,14-15H2,1H3,(H,20,24)
InChIKeyUDRBGDBQGSQESZ-UHFFFAOYSA-N
XLogP1.51
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72892898
N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42291142
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42460138
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 99320484
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246707
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 25453592) is 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide is CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCCn2cccn2)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is UDRBGDBQGSQESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-28(25,26)23-14-8-16(9-15-23)27-18-7-3-2-6-17(18)19(24)20-10-4-12-22-13-5-11-21-22/h2-3,5-7,11,13,16H,4,8-10,12,14-15H2,1H3,(H,20,24).
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 406.51 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 25453592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).