N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C27H28N4O3 — CID 42274264

IUPACN-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnccn3)CC2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H28N4O3/c1-19(32)30-24-21-9-5-6-10-22(21)27(25(24)34-18-20-7-3-2-4-8-20)11-15-31(16-12-27)26(33)23-17-28-13-14-29-23/h2-10,13-14,17,24-25H,11-12,15-16,18H2,1H3,(H,30,32)/t24-,25+/m1/s1
InChIKeyNGYJDVVIRDQVHB-RPBOFIJWSA-N
MW456.55 g/mol
LogP3.43
Rot. Bonds5

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

N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 42274264) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID42274264
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnccn3)CC2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H28N4O3/c1-19(32)30-24-21-9-5-6-10-22(21)27(25(24)34-18-20-7-3-2-4-8-20)11-15-31(16-12-27)26(33)23-17-28-13-14-29-23/h2-10,13-14,17,24-25H,11-12,15-16,18H2,1H3,(H,30,32)/t24-,25+/m1/s1
InChIKeyNGYJDVVIRDQVHB-RPBOFIJWSA-N
XLogP3.43
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-1'-(3-chlorothiophene-2-carbonyl)-2-phenylmethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42501465
N-[(1S,2S)-1'-(2,3-dimethylbenzoyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133137848
N-[(1S,2S)-1'-(5-propyl-1,2-oxazole-3-carbonyl)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133133693
N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42164369
N-[(1R,2R)-2-phenylmethoxy-1'-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118755045
N-[(1R,2R)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118759618
N-[(1R,2R)-1'-[2-(3-fluorophenyl)acetyl]-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42429772
N-[(1R,2R)-1'-[3-(4-methylphenyl)propanoyl]-2-(pyridin-2-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42436255
N-[(1R,2R)-1'-[(E)-4-methylpent-2-enoyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26279563
N-[(1R,2R)-2-(pyridin-2-ylmethoxy)-1'-(3-thiophen-2-ylpropanoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42275075
N-methyl-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 131640770
N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133117847

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 42274264) is N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnccn3)CC2)[C@H]1OCc1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is NGYJDVVIRDQVHB-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-19(32)30-24-21-9-5-6-10-22(21)27(25(24)34-18-20-7-3-2-4-8-20)11-15-31(16-12-27)26(33)23-17-28-13-14-29-23/h2-10,13-14,17,24-25H,11-12,15-16,18H2,1H3,(H,30,32)/t24-,25+/m1/s1.
What are the key properties of N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 456.55 g/mol, XLogP of 3.43, 5 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'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 42274264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).