2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C18H22N4O3 — CID 95823409

IUPAC2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)CN)C2)n1
InChIInChI=1S/C18H22N4O3/c1-24-15-6-2-3-7-16(15)25-17-11-20-10-14(21-17)13-5-4-8-22(12-13)18(23)9-19/h2-3,6-7,10-11,13H,4-5,8-9,12,19H2,1H3/t13-/m0/s1
InChIKeyRCTLZSHCEFVSTF-ZDUSSCGKSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds5

About 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95823409) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95823409
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)CN)C2)n1
InChIInChI=1S/C18H22N4O3/c1-24-15-6-2-3-7-16(15)25-17-11-20-10-14(21-17)13-5-4-8-22(12-13)18(23)9-19/h2-3,6-7,10-11,13H,4-5,8-9,12,19H2,1H3/t13-/m0/s1
InChIKeyRCTLZSHCEFVSTF-ZDUSSCGKSA-N
XLogP1.94
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[(3S)-3-[6-(2-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

2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823406
[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823449
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
2-(2-methoxyphenoxy)-6-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 95823368
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
2-[(3S)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95822642

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95823409) is 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)CN)C2)n1.
What is the InChIKey of 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is RCTLZSHCEFVSTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-15-6-2-3-7-16(15)25-17-11-20-10-14(21-17)13-5-4-8-22(12-13)18(23)9-19/h2-3,6-7,10-11,13H,4-5,8-9,12,19H2,1H3/t13-/m0/s1.
What are the key properties of 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95823409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).