3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one

C19H27N3O4S — CID 16863808

IUPAC3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCNC(=O)C3(C)C)cc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-14-8-11-21(12-9-14)27(25,26)16-6-4-15(5-7-16)17(23)22-13-10-20-18(24)19(22,2)3/h4-7,14H,8-13H2,1-3H3,(H,20,24)
InChIKeyQHWYYEMIPUKXSL-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.46
Rot. Bonds3

About 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one

3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one (PubChem CID 16863808) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one
PubChem CID16863808
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCNC(=O)C3(C)C)cc2)CC1
InChIInChI=1S/C19H27N3O4S/c1-14-8-11-21(12-9-14)27(25,26)16-6-4-15(5-7-16)17(23)22-13-10-20-18(24)19(22,2)3/h4-7,14H,8-13H2,1-3H3,(H,20,24)
InChIKeyQHWYYEMIPUKXSL-UHFFFAOYSA-N
XLogP1.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606700
N-benzyl-4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 16863835
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30453081
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
CID 49064132
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623
N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 17402330
N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 2927302

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one (CID 16863808) is 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one is CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCNC(=O)C3(C)C)cc2)CC1.
What is the InChIKey of 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one?
The InChIKey is QHWYYEMIPUKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-8-11-21(12-9-14)27(25,26)16-6-4-15(5-7-16)17(23)22-13-10-20-18(24)19(22,2)3/h4-7,14H,8-13H2,1-3H3,(H,20,24).
What are the key properties of 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one?
3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one has a molecular weight of 393.51 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-2-one is sourced from PubChem (CID 16863808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).