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

C20H26N4O2 — CID 95823274

IUPAC2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-14-5-4-6-16(13-14)26-18-17(22-9-10-23-18)15-7-11-24(12-8-15)19(25)20(2,3)21/h4-6,9-10,13,15H,7-8,11-12,21H2,1-3H3
InChIKeyHAVBGIDAVLUZBY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.02
Rot. Bonds4

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

2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95823274) 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-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95823274
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-14-5-4-6-16(13-14)26-18-17(22-9-10-23-18)15-7-11-24(12-8-15)19(25)20(2,3)21/h4-6,9-10,13,15H,7-8,11-12,21H2,1-3H3
InChIKeyHAVBGIDAVLUZBY-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 95823274) is 2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is Cc1cccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)c1.
What is the InChIKey of 2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HAVBGIDAVLUZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-5-4-6-16(13-14)26-18-17(22-9-10-23-18)15-7-11-24(12-8-15)19(25)20(2,3)21/h4-6,9-10,13,15H,7-8,11-12,21H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[4-[3-(3-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-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95823274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).