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

C24H28N4O2 — CID 131651674

IUPACN-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(CC1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NCC1CC1
InChIInChI=1S/C24H28N4O2/c29-22(27-15-17-5-6-17)13-18-14-24(20-4-2-1-3-19(18)20)7-11-28(12-8-24)23(30)21-16-25-9-10-26-21/h1-4,9-10,16-18H,5-8,11-15H2,(H,27,29)
InChIKeyTVUHCZJFJVQWMP-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.05
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 131651674) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID131651674
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(CC1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NCC1CC1
InChIInChI=1S/C24H28N4O2/c29-22(27-15-17-5-6-17)13-18-14-24(20-4-2-1-3-19(18)20)7-11-28(12-8-24)23(30)21-16-25-9-10-26-21/h1-4,9-10,16-18H,5-8,11-15H2,(H,27,29)
InChIKeyTVUHCZJFJVQWMP-UHFFFAOYSA-N
XLogP3.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376073
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376072
N-(cyclopropylmethyl)-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131645925
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375811
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375807
N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375799
N-(cyclopropylmethyl)-2-[1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155829419
N-methyl-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 131640770
N-(cyclopropylmethyl)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetamide
CID 118740888
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
N-cyclobutyl-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131655149
N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375802

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 131651674) is N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is O=C(CC1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is TVUHCZJFJVQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-22(27-15-17-5-6-17)13-18-14-24(20-4-2-1-3-19(18)20)7-11-28(12-8-24)23(30)21-16-25-9-10-26-21/h1-4,9-10,16-18H,5-8,11-15H2,(H,27,29).
What are the key properties of N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 131651674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).