[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

C20H23N3O2 — CID 125005681

IUPAC[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2
InChIInChI=1S/C20H23N3O2/c24-19(18-15-21-9-10-22-18)23-11-7-20(8-12-23)14-17(6-13-25-20)16-4-2-1-3-5-16/h1-5,9-10,15,17H,6-8,11-14H2/t17-/m0/s1
InChIKeyUAZSDNSSAMVMRF-KRWDZBQOSA-N
MW337.42 g/mol
LogP3.05
Rot. Bonds2

About [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone

[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (PubChem CID 125005681) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
PubChem CID125005681
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2
InChIInChI=1S/C20H23N3O2/c24-19(18-15-21-9-10-22-18)23-11-7-20(8-12-23)14-17(6-13-25-20)16-4-2-1-3-5-16/h1-5,9-10,15,17H,6-8,11-14H2/t17-/m0/s1
InChIKeyUAZSDNSSAMVMRF-KRWDZBQOSA-N
XLogP3.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110131063
(5-methylpyrazin-2-yl)-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134078916
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 91918141
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
pyrazin-2-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450788
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131649158
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone (CID 125005681) is [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2.
What is the InChIKey of [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
The InChIKey is UAZSDNSSAMVMRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(18-15-21-9-10-22-18)23-11-7-20(8-12-23)14-17(6-13-25-20)16-4-2-1-3-5-16/h1-5,9-10,15,17H,6-8,11-14H2/t17-/m0/s1.
What are the key properties of [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone?
[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone has a molecular weight of 337.42 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 125005681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).