4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one

C12H18N4O2 — CID 113286554

IUPAC4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(N)c(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H18N4O2/c1-12(2)11(17)14-6-7-16(12)10-8(13)4-5-9(15-10)18-3/h4-5H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyPBRJEHDUCKRDTR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.39
Rot. Bonds2

About 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one

4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one (PubChem CID 113286554) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
PubChem CID113286554
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(N)c(N2CCNC(=O)C2(C)C)n1
InChIInChI=1S/C12H18N4O2/c1-12(2)11(17)14-6-7-16(12)10-8(13)4-5-9(15-10)18-3/h4-5H,6-7,13H2,1-3H3,(H,14,17)
InChIKeyPBRJEHDUCKRDTR-UHFFFAOYSA-N
XLogP0.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one (CID 113286554) is 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one is COc1ccc(N)c(N2CCNC(=O)C2(C)C)n1.
What is the InChIKey of 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is PBRJEHDUCKRDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2)11(17)14-6-7-16(12)10-8(13)4-5-9(15-10)18-3/h4-5H,6-7,13H2,1-3H3,(H,14,17).
What are the key properties of 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one?
4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 113286554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).