[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C13H19N3O2 — CID 97094124

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)C[C@H]2C)cn1
InChIInChI=1S/C13H19N3O2/c1-10-9-15(2)6-7-16(10)13(17)11-4-5-12(18-3)14-8-11/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyCJBSKLJYDJRBQH-SNVBAGLBSA-N
MW249.31 g/mol
LogP0.87
Rot. Bonds2

About [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 97094124) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID97094124
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)C[C@H]2C)cn1
InChIInChI=1S/C13H19N3O2/c1-10-9-15(2)6-7-16(10)13(17)11-4-5-12(18-3)14-8-11/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
InChIKeyCJBSKLJYDJRBQH-SNVBAGLBSA-N
XLogP0.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 90652589
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 97094124) is [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCN(C)C[C@H]2C)cn1.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is CJBSKLJYDJRBQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-9-15(2)6-7-16(10)13(17)11-4-5-12(18-3)14-8-11/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 97094124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).