4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one

C19H21N3O5 — CID 72901150

IUPAC4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3cccc(OC)c3=O)CC2=O)c1
InChIInChI=1S/C19H21N3O5/c1-26-15-6-3-5-14(11-15)22-10-9-20(13-18(22)24)17(23)12-21-8-4-7-16(27-2)19(21)25/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyNHNSSCGHFFBUJP-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.74
Rot. Bonds5

About 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one

4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one (PubChem CID 72901150) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
PubChem CID72901150
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3cccc(OC)c3=O)CC2=O)c1
InChIInChI=1S/C19H21N3O5/c1-26-15-6-3-5-14(11-15)22-10-9-20(13-18(22)24)17(23)12-21-8-4-7-16(27-2)19(21)25/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyNHNSSCGHFFBUJP-UHFFFAOYSA-N
XLogP0.74
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
CID 72931086
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
1-(3-methoxyphenyl)-4-[2-[[(2R)-oxan-2-yl]methoxy]acetyl]piperazin-2-one
CID 96572161
1-[2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70754693
3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
CID 72904852

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one (CID 72901150) is 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)Cn3cccc(OC)c3=O)CC2=O)c1.
What is the InChIKey of 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one?
The InChIKey is NHNSSCGHFFBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-15-6-3-5-14(11-15)22-10-9-20(13-18(22)24)17(23)12-21-8-4-7-16(27-2)19(21)25/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one?
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one has a molecular weight of 371.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 72901150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).