2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C21H26N4O2 — CID 118567605

IUPAC2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccn2)C1=O
InChIInChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3
InChIKeyPFSGEFYLEHABKV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118567605) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118567605
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccn2)C1=O
InChIInChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3
InChIKeyPFSGEFYLEHABKV-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562402
2-Methyl-9-(2-phenylethyl)-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567606
4-(3-Fluoro-2-pyridinyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567747
(4-Benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone
CID 155551791
1-(2-Phenylethyl)-5-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 45220606
4-Benzyl-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451127
[2-[4-(Aminomethyl)-4-phenylpiperidin-1-yl]-2-oxo-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl] 2,2,2-trifluoroacetate
CID 141602458
4-[(3-Fluorophenyl)acetyl]-9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 131928798
11-(2-Fluorobenzyl)-3-(2-pyrazinyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155509203
2-Phenyl-1-[6-(piperidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone
CID 131642749
(1'-Benzylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl)-piperidin-1-ylmethanone
CID 155902631
2-Methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567644

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118567605) is 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2cnccn2)C1=O.
What is the InChIKey of 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PFSGEFYLEHABKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17-20(26)25(19-15-22-10-11-23-19)16-21(27-17)8-13-24(14-9-21)12-7-18-5-3-2-4-6-18/h2-6,10-11,15,17H,7-9,12-14,16H2,1H3.
What are the key properties of 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118567605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).