2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide

C22H30N4O4S — CID 127047586

About 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide

2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide (PubChem CID 127047586) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
• PubChem CID: 127047586
• Molecular Formula: C22H30N4O4S
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.20
• IUPAC Name: 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide
• SMILES: O=C1Cc2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC3CCNCC3)ccc2N1
• InChI: InChI=1S/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17?,18-,19+
• InChIKey: GDJSWNQZBLUXAE-YQQQUEKLSA-N
• XLogP: 1.24
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.57
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide?

The IUPAC name of 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide (CID 127047586) is 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide.

What is the SMILES notation for 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide?

The canonical SMILES for 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)N4S(=O)(=O)CC3CCNCC3)ccc2N1.

What is the InChIKey of 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide?

The InChIKey is GDJSWNQZBLUXAE-YQQQUEKLSA-N. The full InChI is InChI=1S/C22H30N4O4S/c27-21-10-16-9-15(1-4-20(16)25-21)22(28)24-17-11-18-2-3-19(12-17)26(18)31(29,30)13-14-5-7-23-8-6-14/h1,4,9,14,17-19,23H,2-3,5-8,10-13H2,(H,24,28)(H,25,27)/t17?,18-,19+.

What are the key properties of 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide?

2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[(1R,5S)-8-(piperidin-4-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 127047586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).