(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone

C13H19N3O2 — CID 105064090

IUPAC(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-7-16(8-10(2)15-9)13(17)11-4-5-14-6-12(11)18-3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyBQVNFRRUFLUKSL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.91
Rot. Bonds2

About (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone

(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone (PubChem CID 105064090) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
PubChem CID105064090
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CC(C)NC(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-7-16(8-10(2)15-9)13(17)11-4-5-14-6-12(11)18-3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyBQVNFRRUFLUKSL-UHFFFAOYSA-N
XLogP0.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
(3aR,6aR)-5-(2-methoxyethyl)-2-(3-methoxypyridine-4-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131691317
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062880
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
[(3aS,5R,6R,7aR)-5-(2,3-dimethoxyphenoxy)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(3-methoxy-4-pyridinyl)methanone
CID 176500300
3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323207
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105063024

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone (CID 105064090) is (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone is COc1cnccc1C(=O)N1CC(C)NC(C)C1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is BQVNFRRUFLUKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-16(8-10(2)15-9)13(17)11-4-5-14-6-12(11)18-3/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone?
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 105064090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).