4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide

C31H39N7O5 — CID 166955810

About 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide

4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide (PubChem CID 166955810) has the molecular formula C31H39N7O5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide
• PubChem CID: 166955810
• Molecular Formula: C31H39N7O5
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.30
• IUPAC Name: 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide
• SMILES: CNC(=O)N1CCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@]2(O)CCCNC2)CC1
• InChI: InChI=1S/C31H39N7O5/c1-29(9-13-37(14-10-29)28(42)32-2)27(41)38(31(43)8-4-11-33-19-31)18-24(39)35-22-7-6-20-16-30(17-21(20)15-22)23-5-3-12-34-25(23)36-26(30)40/h3,5-7,12,15,33,43H,4,8-11,13-14,16-19H2,1-2H3,(H,32,42)(H,35,39)(H,34,36,40)/t30-,31+/m1/s1
• InChIKey: GKSDXWJMQAASAO-JSOSNVBQSA-N
• XLogP: 1.35
• TPSA: 156.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?

The IUPAC name of 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide (CID 166955810) is 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide.

What is the SMILES notation for 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?

The canonical SMILES for 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide is CNC(=O)N1CCC(C)(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@]2(O)CCCNC2)CC1.

What is the InChIKey of 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?

The InChIKey is GKSDXWJMQAASAO-JSOSNVBQSA-N. The full InChI is InChI=1S/C31H39N7O5/c1-29(9-13-37(14-10-29)28(42)32-2)27(41)38(31(43)8-4-11-33-19-31)18-24(39)35-22-7-6-20-16-30(17-21(20)15-22)23-5-3-12-34-25(23)36-26(30)40/h3,5-7,12,15,33,43H,4,8-11,13-14,16-19H2,1-2H3,(H,32,42)(H,35,39)(H,34,36,40)/t30-,31+/m1/s1.

What are the key properties of 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide?

4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 589.70 g/mol, XLogP of 1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[(3S)-3-hydroxypiperidin-3-yl]-1-N,4-dimethyl-4-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 166955810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).