4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide

C20H31N3O3S — CID 120577350

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCCNC3C)cc2)C1
InChIInChI=1S/C20H31N3O3S/c1-14-11-15(2)13-23(12-14)27(25,26)18-8-6-17(7-9-18)20(24)22-19-5-4-10-21-16(19)3/h6-9,14-16,19,21H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyKEXWNDXRNYYWBZ-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.22
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120577350) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120577350
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCCNC3C)cc2)C1
InChIInChI=1S/C20H31N3O3S/c1-14-11-15(2)13-23(12-14)27(25,26)18-8-6-17(7-9-18)20(24)22-19-5-4-10-21-16(19)3/h6-9,14-16,19,21H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyKEXWNDXRNYYWBZ-UHFFFAOYSA-N
XLogP2.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577985
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
CID 119428774
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514308
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574887
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 4621994

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide (CID 120577350) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NC3CCCNC3C)cc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is KEXWNDXRNYYWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-14-11-15(2)13-23(12-14)27(25,26)18-8-6-17(7-9-18)20(24)22-19-5-4-10-21-16(19)3/h6-9,14-16,19,21H,4-5,10-13H2,1-3H3,(H,22,24).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 393.55 g/mol, XLogP of 2.22, 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-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120577350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).