3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile

C20H25N5O4 — CID 91628066

IUPAC3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)C2CC(=O)N(C3CCOCC3)C2)C1
InChIInChI=1S/C20H25N5O4/c21-11-17-19(23-6-5-22-17)29-16-2-1-7-24(13-16)20(27)14-10-18(26)25(12-14)15-3-8-28-9-4-15/h5-6,14-16H,1-4,7-10,12-13H2
InChIKeyXTYYAMJKAGNWDB-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.75
Rot. Bonds4

About 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91628066) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91628066
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)C2CC(=O)N(C3CCOCC3)C2)C1
InChIInChI=1S/C20H25N5O4/c21-11-17-19(23-6-5-22-17)29-16-2-1-7-24(13-16)20(27)14-10-18(26)25(12-14)15-3-8-28-9-4-15/h5-6,14-16H,1-4,7-10,12-13H2
InChIKeyXTYYAMJKAGNWDB-UHFFFAOYSA-N
XLogP0.75
TPSA108.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 122259056
3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636596
3-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755951
3-[(3S)-1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650116
4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628030
3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650467
3-[1-(6-ethoxypyridine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628047
(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 100659423
3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91628066) is 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCCN(C(=O)C2CC(=O)N(C3CCOCC3)C2)C1.
What is the InChIKey of 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is XTYYAMJKAGNWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c21-11-17-19(23-6-5-22-17)29-16-2-1-7-24(13-16)20(27)14-10-18(26)25(12-14)15-3-8-28-9-4-15/h5-6,14-16H,1-4,7-10,12-13H2.
What are the key properties of 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 399.45 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).