(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone

C12H17N3O2 — CID 110849835

IUPAC(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)CC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-14-5-7-15(8-6-14)12(16)10-3-4-13-11(9-10)17-2/h3-4,9H,5-8H2,1-2H3
InChIKeyICQDRTUNLFKNOC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds2

About (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone

(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 110849835) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID110849835
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)CC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-14-5-7-15(8-6-14)12(16)10-3-4-13-11(9-10)17-2/h3-4,9H,5-8H2,1-2H3
InChIKeyICQDRTUNLFKNOC-UHFFFAOYSA-N
XLogP0.48
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335043
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
[4-(1,4-dithiepan-6-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 138807780
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70781900
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121192069
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone (CID 110849835) is (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone is COc1cc(C(=O)N2CCN(C)CC2)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ICQDRTUNLFKNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-5-7-15(8-6-14)12(16)10-3-4-13-11(9-10)17-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone?
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110849835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).