2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone

C20H23FN4O2 — CID 131928798

IUPAC2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCOC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-2-16(12-17)13-19(26)25-10-11-27-20(15-25)4-8-24(9-5-20)18-14-22-6-7-23-18/h1-3,6-7,12,14H,4-5,8-11,13,15H2
InChIKeyMSWNGSYOAPPZKD-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.06
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone

2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone (PubChem CID 131928798) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone
PubChem CID131928798
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCOC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-2-16(12-17)13-19(26)25-10-11-27-20(15-25)4-8-24(9-5-20)18-14-22-6-7-23-18/h1-3,6-7,12,14H,4-5,8-11,13,15H2
InChIKeyMSWNGSYOAPPZKD-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567605
rac-1-(2-((1H-imidazol-1-yl)methyl)morpholino)-2-(4-fluorophenyl)ethanone
CID 46960541
(4-Benzylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrazin-2-yl)piperidin-4-yl]methanone
CID 155551791
2-(2-Fluorophenyl)-1-{4-[(3-methoxypyrazin-2-YL)amino]piperidin-1-YL}ethan-1-one
CID 53185542
1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24819009
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950784
1-(2-Phenylethyl)-5-{[4-(2-pyrazinyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 45220606
2-(4-Fluorophenyl)-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
CID 53185541
3-(4-Fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 56817499
1-[(S)-3-[6-(dimethylamino)-2-pyrazinyloxy]-1-pyrrolidinyl]-2-(o-fluorophenyl)-1-ethanone
CID 100618258
2-Phenyl-1-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 118740740
2-Cyclopropyl-4-phenyl-9-(2-pyrazinyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72869821

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone (CID 131928798) is 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone is O=C(Cc1cccc(F)c1)N1CCOC2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone?
The InChIKey is MSWNGSYOAPPZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-3-1-2-16(12-17)13-19(26)25-10-11-27-20(15-25)4-8-24(9-5-20)18-14-22-6-7-23-18/h1-3,6-7,12,14H,4-5,8-11,13,15H2.
What are the key properties of 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone?
2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone has a molecular weight of 370.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(9-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone is sourced from PubChem (CID 131928798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).