3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one

C22H25N5O3 — CID 128973625

IUPAC3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESCOC1(c2nc(Cc3ccccc3)no2)CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-29-22(21-24-18(25-30-21)15-16-5-3-2-4-6-16)9-12-26(13-10-22)19-20(28)27(14-11-23-19)17-7-8-17/h2-6,11,14,17H,7-10,12-13,15H2,1H3
InChIKeyPIWJQXGRRLISHZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.69
Rot. Bonds6

About 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one

3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one (PubChem CID 128973625) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one
PubChem CID128973625
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESCOC1(c2nc(Cc3ccccc3)no2)CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-29-22(21-24-18(25-30-21)15-16-5-3-2-4-6-16)9-12-26(13-10-22)19-20(28)27(14-11-23-19)17-7-8-17/h2-6,11,14,17H,7-10,12-13,15H2,1H3
InChIKeyPIWJQXGRRLISHZ-UHFFFAOYSA-N
XLogP2.69
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one with MolForge

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Related Compounds

3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
CID 100656099
(2S)-1-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 129482326
3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 128973495
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128973667
3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147237
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 63902780
1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
CID 82996710
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 115917389

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one (CID 128973625) is 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one is COC1(c2nc(Cc3ccccc3)no2)CCN(c2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The InChIKey is PIWJQXGRRLISHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-22(21-24-18(25-30-21)15-16-5-3-2-4-6-16)9-12-26(13-10-22)19-20(28)27(14-11-23-19)17-7-8-17/h2-6,11,14,17H,7-10,12-13,15H2,1H3.
What are the key properties of 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one?
3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one has a molecular weight of 407.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 128973625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).