N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide

C19H31N3O3S — CID 55782424

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O3S/c1-15-12-16(2)14-22(13-15)11-5-10-20-19(23)17-6-8-18(9-7-17)26(24,25)21(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyBLKVCPBNJPLYIU-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.03
Rot. Bonds7

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 55782424) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID55782424
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C19H31N3O3S/c1-15-12-16(2)14-22(13-15)11-5-10-20-19(23)17-6-8-18(9-7-17)26(24,25)21(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)
InChIKeyBLKVCPBNJPLYIU-UHFFFAOYSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
4-(dimethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656823
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
CID 55811483
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-methyl-3-nitrobenzamide
CID 51525429
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
4-(dimethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 110417973

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide (CID 55782424) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide is CC1CC(C)CN(CCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is BLKVCPBNJPLYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-15-12-16(2)14-22(13-15)11-5-10-20-19(23)17-6-8-18(9-7-17)26(24,25)21(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 381.54 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55782424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).