[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone

C20H25N3O3 — CID 124956604

IUPAC[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1
InChIInChI=1S/C20H25N3O3/c1-15-19(22-9-8-21-15)7-6-18-14-26-11-10-23(18)20(24)17-5-3-4-16(12-17)13-25-2/h3-5,8-9,12,18H,6-7,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyFSTIALVZFFNSFJ-SFHVURJKSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds6

About [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone

[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone (PubChem CID 124956604) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
PubChem CID124956604
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1
InChIInChI=1S/C20H25N3O3/c1-15-19(22-9-8-21-15)7-6-18-14-26-11-10-23(18)20(24)17-5-3-4-16(12-17)13-25-2/h3-5,8-9,12,18H,6-7,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyFSTIALVZFFNSFJ-SFHVURJKSA-N
XLogP2.41
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-benzotriazol-5-yl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132334
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 124970486
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
CID 124976639
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
(1-ethyl-3-methylpyrazol-4-yl)-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124957997
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124995035
1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
(1-ethyl-5-methylpyrazol-3-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132349
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132338
2-cyclopentyl-1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124945965

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
The IUPAC name of [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone (CID 124956604) is [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone is COCc1cccc(C(=O)N2CCOC[C@@H]2CCc2nccnc2C)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
The InChIKey is FSTIALVZFFNSFJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-19(22-9-8-21-15)7-6-18-14-26-11-10-23(18)20(24)17-5-3-4-16(12-17)13-25-2/h3-5,8-9,12,18H,6-7,10-11,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone?
[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124956604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).