2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C31H31ClN4O3 — CID 25020713

IUPAC2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCc1cc(Cl)ccc1[C@@H]1CCC(C)(C)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H31ClN4O3/c1-18-13-21(32)7-9-23(18)25-10-11-30(2,3)29(39)36(25)17-26(37)34-22-8-6-19-15-31(16-20(19)14-22)24-5-4-12-33-27(24)35-28(31)38/h4-9,12-14,25H,10-11,15-17H2,1-3H3,(H,34,37)(H,33,35,38)/t25-,31+/m0/s1
InChIKeyMVPRDESCFPUUOJ-VVFBEHOQSA-N
MW543.07 g/mol
LogP5.36
Rot. Bonds4

About 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 25020713) has the molecular formula C31H31ClN4O3 and a molecular weight of 543.07 g/mol. Its IUPAC name is 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
PubChem CID25020713
Molecular FormulaC31H31ClN4O3
Molecular Weight543.07 g/mol
Exact Mass542.21
IUPAC Name2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCc1cc(Cl)ccc1[C@@H]1CCC(C)(C)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C31H31ClN4O3/c1-18-13-21(32)7-9-23(18)25-10-11-30(2,3)29(39)36(25)17-26(37)34-22-8-6-19-15-31(16-20(19)14-22)24-5-4-12-33-27(24)35-28(31)38/h4-9,12-14,25H,10-11,15-17H2,1-3H3,(H,34,37)(H,33,35,38)/t25-,31+/m0/s1
InChIKeyMVPRDESCFPUUOJ-VVFBEHOQSA-N
XLogP5.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.07
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The IUPAC name of 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 25020713) is 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.
What is the SMILES notation for 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The canonical SMILES for 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is Cc1cc(Cl)ccc1[C@@H]1CCC(C)(C)C(=O)N1CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The InChIKey is MVPRDESCFPUUOJ-VVFBEHOQSA-N. The full InChI is InChI=1S/C31H31ClN4O3/c1-18-13-21(32)7-9-23(18)25-10-11-30(2,3)29(39)36(25)17-26(37)34-22-8-6-19-15-31(16-20(19)14-22)24-5-4-12-33-27(24)35-28(31)38/h4-9,12-14,25H,10-11,15-17H2,1-3H3,(H,34,37)(H,33,35,38)/t25-,31+/m0/s1.
What are the key properties of 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 543.07 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-6-(4-chloro-2-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 25020713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).