(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C18H23N5O2 — CID 58653209

IUPAC(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILES[C-]#[N+]c1nccnc1N1CCC[C@@]2(CCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H23N5O2/c1-19-15-16(21-8-7-20-15)22-9-2-5-18(13-22)6-10-23(17(18)24)14-3-11-25-12-4-14/h7-8,14H,2-6,9-13H2/t18-/m1/s1
InChIKeyRYOPEOGQNJPRIR-GOSISDBHSA-N
MW341.42 g/mol
LogP2.03
Rot. Bonds2

About (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653209) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653209
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILES[C-]#[N+]c1nccnc1N1CCC[C@@]2(CCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H23N5O2/c1-19-15-16(21-8-7-20-15)22-9-2-5-18(13-22)6-10-23(17(18)24)14-3-11-25-12-4-14/h7-8,14H,2-6,9-13H2/t18-/m1/s1
InChIKeyRYOPEOGQNJPRIR-GOSISDBHSA-N
XLogP2.03
TPSA62.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-[(3S,4S)-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidin-3-yl]methanone
CID 124052074
2-(3,6-dimethylpyrazin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843219
2-[3-(Dimethylamino)pyrazin-2-YL]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72905062
7-Isopropyl-2-(3-methoxy-2-pyrazinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72918993
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
2-(3-methyl-2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
(5S)-6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502460
(5R)-6,6-difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 97502461
6,6-Difluoro-9-(oxan-4-yl)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 131651354
N,N-dimethyl-3-[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]pyrazin-2-amine
CID 56868386
2-[(2-ethyl-1H-imidazol-1-yl)acetyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72885977
9-(3-Chloropyrazin-2-yl)-2-(1-methylpiperidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970817

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653209) is (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is [C-]#[N+]c1nccnc1N1CCC[C@@]2(CCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RYOPEOGQNJPRIR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-15-16(21-8-7-20-15)22-9-2-5-18(13-22)6-10-23(17(18)24)14-3-11-25-12-4-14/h7-8,14H,2-6,9-13H2/t18-/m1/s1.
What are the key properties of (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 341.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).