1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one

C38H38N4O6S2 — CID 59030980

IUPAC1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(N5C(=O)Cc6ccccc65)CC4)cc3)cc2)CC1
InChIInChI=1S/C38H38N4O6S2/c43-37-25-29-5-1-3-7-35(29)41(37)31-17-21-39(22-18-31)49(45,46)33-13-9-27(10-14-33)28-11-15-34(16-12-28)50(47,48)40-23-19-32(20-24-40)42-36-8-4-2-6-30(36)26-38(42)44/h1-16,31-32H,17-26H2
InChIKeyDRDAJESDWKNQRK-UHFFFAOYSA-N
MW710.88 g/mol
LogP4.84
Rot. Bonds7

About 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one

1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one (PubChem CID 59030980) has the molecular formula C38H38N4O6S2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one
PubChem CID59030980
Molecular FormulaC38H38N4O6S2
Molecular Weight710.88 g/mol
Exact Mass710.22
IUPAC Name1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(N5C(=O)Cc6ccccc65)CC4)cc3)cc2)CC1
InChIInChI=1S/C38H38N4O6S2/c43-37-25-29-5-1-3-7-35(29)41(37)31-17-21-39(22-18-31)49(45,46)33-13-9-27(10-14-33)28-11-15-34(16-12-28)50(47,48)40-23-19-32(20-24-40)42-36-8-4-2-6-30(36)26-38(42)44/h1-16,31-32H,17-26H2
InChIKeyDRDAJESDWKNQRK-UHFFFAOYSA-N
XLogP4.84
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500710.88
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one with MolForge

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047
1-(1-thiophen-3-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68531327
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-3H-indol-2-one
CID 22558083
4-oxo-4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]but-2-enoic acid
CID 4088270
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 58792794
1-(4-phenylphenyl)sulfonylpyrrolidine-3-thiol
CID 18440981
1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one
CID 143069850
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-3H-indol-2-one
CID 22558141
1-[1-(4-chloro-3-nitrosophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 89174918
1-[1-(2-cyclohepta-1,4,6-trien-1-ylethyl)piperidin-4-yl]-3H-indol-2-one
CID 142181726
1-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68531792

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one?
The IUPAC name of 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one (CID 59030980) is 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one.
What is the SMILES notation for 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one?
The canonical SMILES for 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one is O=C1Cc2ccccc2N1C1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCC(N5C(=O)Cc6ccccc65)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one?
The InChIKey is DRDAJESDWKNQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O6S2/c43-37-25-29-5-1-3-7-35(29)41(37)31-17-21-39(22-18-31)49(45,46)33-13-9-27(10-14-33)28-11-15-34(16-12-28)50(47,48)40-23-19-32(20-24-40)42-36-8-4-2-6-30(36)26-38(42)44/h1-16,31-32H,17-26H2.
What are the key properties of 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one?
1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one has a molecular weight of 710.88 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidin-4-yl]-3H-indol-2-one is sourced from PubChem (CID 59030980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).