2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide

C20H28N4O4S — CID 118946393

IUPAC2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCN(S(=O)(=O)CC4CCNCC4)CC3)ccc2N1
InChIInChI=1S/C20H28N4O4S/c25-19-12-16-11-15(1-2-18(16)23-19)20(26)22-17-5-9-24(10-6-17)29(27,28)13-14-3-7-21-8-4-14/h1-2,11,14,17,21H,3-10,12-13H2,(H,22,26)(H,23,25)
InChIKeyFOOUZILBDOSFBJ-UHFFFAOYSA-N
MW420.54 g/mol
LogP0.70
Rot. Bonds5

About 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide

2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide (PubChem CID 118946393) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide
PubChem CID118946393
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCN(S(=O)(=O)CC4CCNCC4)CC3)ccc2N1
InChIInChI=1S/C20H28N4O4S/c25-19-12-16-11-15(1-2-18(16)23-19)20(26)22-17-5-9-24(10-6-17)29(27,28)13-14-3-7-21-8-4-14/h1-2,11,14,17,21H,3-10,12-13H2,(H,22,26)(H,23,25)
InChIKeyFOOUZILBDOSFBJ-UHFFFAOYSA-N
XLogP0.70
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide 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

N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoindoline-5-carboxamide
CID 118946423
N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-6-fluoro-2-oxoindoline-5-carboxamide
CID 127045843
N-((1R,3R,5S)-8-(((1r,4R)-4-aminocyclohexyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoindoline-5-carboxamide
CID 127046939
N-((1R,3r,5S)-8-(((1-methylpiperidin-4-yl)methyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoindoline-5-carboxamide
CID 127047588
N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085737
N-(4-acetylphenyl)-1-(ethylsulfonyl)-4-piperidinecarboxamide
CID 2953770
N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-6-methyl-2-oxoindoline-5-carboxamide
CID 127045844
6-chloro-2-oxo-N-[(1S,5R)-8-[[(3R)-piperidin-3-yl]methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
CID 127046030
N-(1-((3-aminopropyl)sulfonyl)piperidin-4-yl)-2-oxoindoline-5-carboxamide
CID 127047451
N-(1-((3-aminopropyl)sulfonyl)piperidin-4-yl)-6-chloro-2-oxoindoline-5-carboxamide
CID 127047452
1-methyl-2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)indoline-5-carboxamide
CID 127047459
2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)indoline-5-carboxamide
CID 127047586

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide (CID 118946393) is 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NC3CCN(S(=O)(=O)CC4CCNCC4)CC3)ccc2N1.
What is the InChIKey of 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide?
The InChIKey is FOOUZILBDOSFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c25-19-12-16-11-15(1-2-18(16)23-19)20(26)22-17-5-9-24(10-6-17)29(27,28)13-14-3-7-21-8-4-14/h1-2,11,14,17,21H,3-10,12-13H2,(H,22,26)(H,23,25).
What are the key properties of 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide?
2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(piperidin-4-ylmethylsulfonyl)piperidin-4-yl]-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 118946393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).