N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C31H32N4O2 — CID 42164369

IUPACN-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cccc4nccnc34)CC2)[C@H]1OCc1ccccc1
InChIInChI=1S/C31H32N4O2/c1-22(36)34-29-25-11-5-6-12-26(25)31(30(29)37-21-23-8-3-2-4-9-23)14-18-35(19-15-31)20-24-10-7-13-27-28(24)33-17-16-32-27/h2-13,16-17,29-30H,14-15,18-21H2,1H3,(H,34,36)/t29-,30+/m1/s1
InChIKeyJUPCHIVVUZSJIK-IHLOFXLRSA-N
MW492.62 g/mol
LogP4.94
Rot. Bonds6

About N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 42164369) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID42164369
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC NameN-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cccc4nccnc34)CC2)[C@H]1OCc1ccccc1
InChIInChI=1S/C31H32N4O2/c1-22(36)34-29-25-11-5-6-12-26(25)31(30(29)37-21-23-8-3-2-4-9-23)14-18-35(19-15-31)20-24-10-7-13-27-28(24)33-17-16-32-27/h2-13,16-17,29-30H,14-15,18-21H2,1H3,(H,34,36)/t29-,30+/m1/s1
InChIKeyJUPCHIVVUZSJIK-IHLOFXLRSA-N
XLogP4.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 42164369) is N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cccc4nccnc34)CC2)[C@H]1OCc1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is JUPCHIVVUZSJIK-IHLOFXLRSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-22(36)34-29-25-11-5-6-12-26(25)31(30(29)37-21-23-8-3-2-4-9-23)14-18-35(19-15-31)20-24-10-7-13-27-28(24)33-17-16-32-27/h2-13,16-17,29-30H,14-15,18-21H2,1H3,(H,34,36)/t29-,30+/m1/s1.
What are the key properties of N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 492.62 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 42164369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).