2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C22H26N2O3 — CID 133138249

IUPAC2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCO[C@@H]1[C@@H](NC(=O)Cc2ccc(O)cc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H26N2O3/c1-27-21-20(24-19(26)14-15-6-8-16(25)9-7-15)17-4-2-3-5-18(17)22(21)10-12-23-13-11-22/h2-9,20-21,23,25H,10-14H2,1H3,(H,24,26)/t20-,21+/m0/s1
InChIKeyCKUVSOQTDLQTPJ-LEWJYISDSA-N
MW366.46 g/mol
LogP2.44
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 133138249) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID133138249
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCO[C@@H]1[C@@H](NC(=O)Cc2ccc(O)cc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H26N2O3/c1-27-21-20(24-19(26)14-15-6-8-16(25)9-7-15)17-4-2-3-5-18(17)22(21)10-12-23-13-11-22/h2-9,20-21,23,25H,10-14H2,1H3,(H,24,26)/t20-,21+/m0/s1
InChIKeyCKUVSOQTDLQTPJ-LEWJYISDSA-N
XLogP2.44
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 133138249) is 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CO[C@@H]1[C@@H](NC(=O)Cc2ccc(O)cc2)c2ccccc2C12CCNCC2.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is CKUVSOQTDLQTPJ-LEWJYISDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-21-20(24-19(26)14-15-6-8-16(25)9-7-15)17-4-2-3-5-18(17)22(21)10-12-23-13-11-22/h2-9,20-21,23,25H,10-14H2,1H3,(H,24,26)/t20-,21+/m0/s1.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 133138249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).