4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide

C24H37N3O3S — CID 56568108

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)CC1
InChIInChI=1S/C24H37N3O3S/c1-18(2)9-12-26-13-10-22(11-14-26)25-24(28)21-5-7-23(8-6-21)31(29,30)27-16-19(3)15-20(4)17-27/h5-9,19-20,22H,10-17H2,1-4H3,(H,25,28)
InChIKeyFZRPARMNFNZDMH-UHFFFAOYSA-N
MW447.65 g/mol
LogP3.51
Rot. Bonds6

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide (PubChem CID 56568108) has the molecular formula C24H37N3O3S and a molecular weight of 447.65 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
PubChem CID56568108
Molecular FormulaC24H37N3O3S
Molecular Weight447.65 g/mol
Exact Mass447.26
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)CC1
InChIInChI=1S/C24H37N3O3S/c1-18(2)9-12-26-13-10-22(11-14-26)25-24(28)21-5-7-23(8-6-21)31(29,30)27-16-19(3)15-20(4)17-27/h5-9,19-20,22H,10-17H2,1-4H3,(H,25,28)
InChIKeyFZRPARMNFNZDMH-UHFFFAOYSA-N
XLogP3.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55690874
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
CID 119428774
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
4-fluoro-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56568816
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 109059487
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
CID 2623059

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide (CID 56568108) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide is CC(C)=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)CC1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
The InChIKey is FZRPARMNFNZDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3S/c1-18(2)9-12-26-13-10-22(11-14-26)25-24(28)21-5-7-23(8-6-21)31(29,30)27-16-19(3)15-20(4)17-27/h5-9,19-20,22H,10-17H2,1-4H3,(H,25,28).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide has a molecular weight of 447.65 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 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-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 56568108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).