1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C18H21N3O3 — CID 95821913

IUPAC1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(Oc2nccnc2C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-11-7-14(8-12-21)17-18(20-10-9-19-17)24-16-5-3-15(23-2)4-6-16/h3-6,9-10,14H,7-8,11-12H2,1-2H3
InChIKeyTZWXSQZABZWVNA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.00
Rot. Bonds4

About 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95821913) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95821913
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(Oc2nccnc2C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21-11-7-14(8-12-21)17-18(20-10-9-19-17)24-16-5-3-15(23-2)4-6-16/h3-6,9-10,14H,7-8,11-12H2,1-2H3
InChIKeyTZWXSQZABZWVNA-UHFFFAOYSA-N
XLogP3.00
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone 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

1-[4-[3-[4-(1,3-benzothiazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 70937996
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
1-[4-[3-[4-[1H-benzimidazol-2-yl(hydroxy)methyl]phenoxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 59351312
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
4-[3-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazin-2-yl]oxybenzamide
CID 95822596
1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 175657135
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823457
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822817

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95821913) is 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1ccc(Oc2nccnc2C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is TZWXSQZABZWVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21-11-7-14(8-12-21)17-18(20-10-9-19-17)24-16-5-3-15(23-2)4-6-16/h3-6,9-10,14H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 327.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95821913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).