4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide

C19H29N3O3S — CID 119428774

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCCNC3)cc2)C1
InChIInChI=1S/C19H29N3O3S/c1-14-10-15(2)13-22(12-14)26(24,25)18-7-5-16(6-8-18)19(23)21-17-4-3-9-20-11-17/h5-8,14-15,17,20H,3-4,9-13H2,1-2H3,(H,21,23)
InChIKeyFMEUXHUCGRPMRP-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.84
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide (PubChem CID 119428774) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
PubChem CID119428774
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCCNC3)cc2)C1
InChIInChI=1S/C19H29N3O3S/c1-14-10-15(2)13-22(12-14)26(24,25)18-7-5-16(6-8-18)19(23)21-17-4-3-9-20-11-17/h5-8,14-15,17,20H,3-4,9-13H2,1-2H3,(H,21,23)
InChIKeyFMEUXHUCGRPMRP-UHFFFAOYSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514308
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55690874
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
CID 56568108
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide (CID 119428774) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCCNC3)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide?
The InChIKey is FMEUXHUCGRPMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-10-15(2)13-22(12-14)26(24,25)18-7-5-16(6-8-18)19(23)21-17-4-3-9-20-11-17/h5-8,14-15,17,20H,3-4,9-13H2,1-2H3,(H,21,23).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide has a molecular weight of 379.53 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119428774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).