2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C19H24N4O2 — CID 95823516

IUPAC2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@H](c2cncc(Oc3cccc(C)c3)n2)C1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-7-16(9-14)25-18-11-21-10-17(22-18)15-6-4-8-23(13-15)19(24)12-20-2/h3,5,7,9-11,15,20H,4,6,8,12-13H2,1-2H3/t15-/m0/s1
InChIKeyCZGOFIYJFGIPGZ-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.50
Rot. Bonds5

About 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95823516) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95823516
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@H](c2cncc(Oc3cccc(C)c3)n2)C1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-7-16(9-14)25-18-11-21-10-17(22-18)15-6-4-8-23(13-15)19(24)12-20-2/h3,5,7,9-11,15,20H,4,6,8,12-13H2,1-2H3/t15-/m0/s1
InChIKeyCZGOFIYJFGIPGZ-HNNXBMFYSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)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-[(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
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 110256162
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
2-amino-1-[(3R)-3-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823406
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 132767695
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
(4-benzyloxan-4-yl)-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150108
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125010503

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95823516) is 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC[C@H](c2cncc(Oc3cccc(C)c3)n2)C1.
What is the InChIKey of 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is CZGOFIYJFGIPGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-5-3-7-16(9-14)25-18-11-21-10-17(22-18)15-6-4-8-23(13-15)19(24)12-20-2/h3,5,7,9-11,15,20H,4,6,8,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95823516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).