2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one

C21H24N4O — CID 91940108

IUPAC2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cnccn3)CC2)CN1CC=Cc1ccccc1
InChIInChI=1S/C21H24N4O/c26-20-15-21(8-13-24(14-9-21)19-16-22-10-11-23-19)17-25(20)12-4-7-18-5-2-1-3-6-18/h1-7,10-11,16H,8-9,12-15,17H2
InChIKeyAFIPUBTVZODOMJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.01
Rot. Bonds4

About 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one

2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91940108) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID91940108
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3cnccn3)CC2)CN1CC=Cc1ccccc1
InChIInChI=1S/C21H24N4O/c26-20-15-21(8-13-24(14-9-21)19-16-22-10-11-23-19)17-25(20)12-4-7-18-5-2-1-3-6-18/h1-7,10-11,16H,8-9,12-15,17H2
InChIKeyAFIPUBTVZODOMJ-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72843442
8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72914510
2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940770
8-(1H-imidazol-5-ylmethyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72908532
8-(1H-imidazol-5-ylmethyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940610
(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97147860
8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72887582
8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940825
5-[[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one
CID 72838004
8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940369
8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154898542
1-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 91939946

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one (CID 91940108) is 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3cnccn3)CC2)CN1CC=Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AFIPUBTVZODOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-20-15-21(8-13-24(14-9-21)19-16-22-10-11-23-19)17-25(20)12-4-7-18-5-2-1-3-6-18/h1-7,10-11,16H,8-9,12-15,17H2.
What are the key properties of 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 348.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91940108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).