1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one

C22H32N4O4S — CID 22519310

IUPAC1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
SMILESCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)CC1
InChIInChI=1S/C22H32N4O4S/c1-22(2)18-15-17(5-6-19(18)24(4)21(22)28)31(29,30)26-9-7-16(8-10-26)20(27)25-13-11-23(3)12-14-25/h5-6,15-16H,7-14H2,1-4H3
InChIKeyWMDUTAUCXSJWIN-UHFFFAOYSA-N
MW448.59 g/mol
LogP1.12
Rot. Bonds3

About 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one

1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one (PubChem CID 22519310) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
PubChem CID22519310
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC Name1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
SMILESCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)CC1
InChIInChI=1S/C22H32N4O4S/c1-22(2)18-15-17(5-6-19(18)24(4)21(22)28)31(29,30)26-9-7-16(8-10-26)20(27)25-13-11-23(3)12-14-25/h5-6,15-16H,7-14H2,1-4H3
InChIKeyWMDUTAUCXSJWIN-UHFFFAOYSA-N
XLogP1.12
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22552128
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
CID 20938186
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
CID 92692890
1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one
CID 22582612
[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 6460118
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one (CID 22519310) is 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one is CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)CC1.
What is the InChIKey of 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one?
The InChIKey is WMDUTAUCXSJWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-22(2)18-15-17(5-6-19(18)24(4)21(22)28)31(29,30)26-9-7-16(8-10-26)20(27)25-13-11-23(3)12-14-25/h5-6,15-16H,7-14H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one?
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one has a molecular weight of 448.59 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one is sourced from PubChem (CID 22519310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).