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

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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).