1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one

C18H19N3O3 — CID 146137380

IUPAC1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one
SMILESCC1CN(C(=O)c2cccc(Oc3ccccn3)c2)CC(=O)N1C
InChIInChI=1S/C18H19N3O3/c1-13-11-21(12-17(22)20(13)2)18(23)14-6-5-7-15(10-14)24-16-8-3-4-9-19-16/h3-10,13H,11-12H2,1-2H3
InChIKeyUXTNSWYXCKOPJN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.18
Rot. Bonds3

About 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one

1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one (PubChem CID 146137380) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one
PubChem CID146137380
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one
SMILESCC1CN(C(=O)c2cccc(Oc3ccccn3)c2)CC(=O)N1C
InChIInChI=1S/C18H19N3O3/c1-13-11-21(12-17(22)20(13)2)18(23)14-6-5-7-15(10-14)24-16-8-3-4-9-19-16/h3-10,13H,11-12H2,1-2H3
InChIKeyUXTNSWYXCKOPJN-UHFFFAOYSA-N
XLogP2.18
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017262
(4-cyclopropylidenepiperidin-1-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 121187049
[4-(3-chlorophenyl)piperazin-1-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 90596721
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596810
N-methyl-N-(1-methylpiperidin-4-yl)-3-pyridin-2-yloxybenzamide
CID 90596724
[3-(2-hydroxyethyl)morpholin-4-yl]-(3-pyridin-2-yloxyphenyl)methanone
CID 136557337
[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3-phenoxyphenyl)methanone
CID 164688178
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
CID 25345417
N-ethyl-N-phenyl-3-pyridin-2-yloxybenzamide
CID 90596664
3,4-dihydro-1H-isoquinolin-2-yl-(3-pyrimidin-2-yloxyphenyl)methanone
CID 162661158

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one?
The IUPAC name of 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one (CID 146137380) is 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one?
The canonical SMILES for 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one is CC1CN(C(=O)c2cccc(Oc3ccccn3)c2)CC(=O)N1C.
What is the InChIKey of 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one?
The InChIKey is UXTNSWYXCKOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-11-21(12-17(22)20(13)2)18(23)14-6-5-7-15(10-14)24-16-8-3-4-9-19-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one?
1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one is sourced from PubChem (CID 146137380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).