2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C20H26N4O2 — CID 95823275

IUPAC2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-4-6-16(7-5-14)26-18-17(22-10-11-23-18)15-8-12-24(13-9-15)19(25)20(2,3)21/h4-7,10-11,15H,8-9,12-13,21H2,1-3H3
InChIKeyVEJQVUBXILDHTA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.02
Rot. Bonds4

About 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one

2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95823275) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95823275
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-4-6-16(7-5-14)26-18-17(22-10-11-23-18)15-8-12-24(13-9-15)19(25)20(2,3)21/h4-7,10-11,15H,8-9,12-13,21H2,1-3H3
InChIKeyVEJQVUBXILDHTA-UHFFFAOYSA-N
XLogP3.02
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823255
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[(3S)-4-(oxan-4-yl)morpholin-3-yl]methanone
CID 124974183
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451
[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
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822817
2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 95823275) is 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is Cc1ccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)cc1.
What is the InChIKey of 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is VEJQVUBXILDHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-4-6-16(7-5-14)26-18-17(22-10-11-23-18)15-8-12-24(13-9-15)19(25)20(2,3)21/h4-7,10-11,15H,8-9,12-13,21H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95823275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).