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

C20H31N3O3S — CID 120577985

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NC3CCCNC3C)c2)C1
InChIInChI=1S/C20H31N3O3S/c1-14-10-15(2)13-23(12-14)27(25,26)18-7-4-6-17(11-18)20(24)22-19-8-5-9-21-16(19)3/h4,6-7,11,14-16,19,21H,5,8-10,12-13H2,1-3H3,(H,22,24)
InChIKeyMYIKZFQTKKTTLU-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.22
Rot. Bonds4

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

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120577985) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120577985
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NC3CCCNC3C)c2)C1
InChIInChI=1S/C20H31N3O3S/c1-14-10-15(2)13-23(12-14)27(25,26)18-7-4-6-17(11-18)20(24)22-19-8-5-9-21-16(19)3/h4,6-7,11,14-16,19,21H,5,8-10,12-13H2,1-3H3,(H,22,24)
InChIKeyMYIKZFQTKKTTLU-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

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462393
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 129376632
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984
N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 4621994
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 40896968

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide (CID 120577985) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)NC3CCCNC3C)c2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is MYIKZFQTKKTTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-14-10-15(2)13-23(12-14)27(25,26)18-7-4-6-17(11-18)20(24)22-19-8-5-9-21-16(19)3/h4,6-7,11,14-16,19,21H,5,8-10,12-13H2,1-3H3,(H,22,24).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
3-(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 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120577985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).