(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H20N4O3 — CID 166391089

IUPAC(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1OC
InChIInChI=1S/C17H20N4O3/c1-23-13-6-8-19-15(16(13)24-2)17(22)21-11-9-20(10-12-21)14-5-3-4-7-18-14/h3-8H,9-12H2,1-2H3
InChIKeyMGDACXICFRSUMS-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.46
Rot. Bonds4

About (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 166391089) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID166391089
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1OC
InChIInChI=1S/C17H20N4O3/c1-23-13-6-8-19-15(16(13)24-2)17(22)21-11-9-20(10-12-21)14-5-3-4-7-18-14/h3-8H,9-12H2,1-2H3
InChIKeyMGDACXICFRSUMS-UHFFFAOYSA-N
XLogP1.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109286594
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
(6,7-dimethyl-3-propan-2-yloxyquinoxalin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 50779913
[4-(2-methoxyphenyl)piperazin-1-yl]-(2,7-naphthyridin-1-yl)methanone
CID 167947502

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 166391089) is (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1OC.
What is the InChIKey of (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MGDACXICFRSUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-6-8-19-15(16(13)24-2)17(22)21-11-9-20(10-12-21)14-5-3-4-7-18-14/h3-8H,9-12H2,1-2H3.
What are the key properties of (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 328.37 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 166391089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).