1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione

C24H35N3O4S — CID 53025499

IUPAC1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
SMILESCC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)CC1
InChIInChI=1S/C24H35N3O4S/c1-18-7-12-25(13-8-18)23(28)5-6-24(29)27-16-11-20-17-21(3-4-22(20)27)32(30,31)26-14-9-19(2)10-15-26/h3-4,17-19H,5-16H2,1-2H3
InChIKeyRNTSWDRTZRTNQR-UHFFFAOYSA-N
MW461.63 g/mol
LogP3.04
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione

1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione (PubChem CID 53025499) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
PubChem CID53025499
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC Name1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
SMILESCC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)CC1
InChIInChI=1S/C24H35N3O4S/c1-18-7-12-25(13-8-18)23(28)5-6-24(29)27-16-11-20-17-21(3-4-22(20)27)32(30,31)26-14-9-19(2)10-15-26/h3-4,17-19H,5-16H2,1-2H3
InChIKeyRNTSWDRTZRTNQR-UHFFFAOYSA-N
XLogP3.04
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540
1-(azepan-1-yl)-4-[5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025637
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025519
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 20888248
1-(azepan-1-yl)-4-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025613
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513
3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55759883
2-(3-methylcyclohexyl)oxy-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 86941530
1-(5-methylthiophen-2-yl)-4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 55438635
1-[5-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 46981251
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione (CID 53025499) is 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione is CC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)N4CCC(C)CC4)ccc32)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione?
The InChIKey is RNTSWDRTZRTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-18-7-12-25(13-8-18)23(28)5-6-24(29)27-16-11-20-17-21(3-4-22(20)27)32(30,31)26-14-9-19(2)10-15-26/h3-4,17-19H,5-16H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione?
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione has a molecular weight of 461.63 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione is sourced from PubChem (CID 53025499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).