1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one

C18H22N4O3 — CID 118765217

IUPAC1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)CCCn3cccn3)CC2=O)c1
InChIInChI=1S/C18H22N4O3/c1-25-16-6-2-5-15(13-16)22-12-11-20(14-18(22)24)17(23)7-3-9-21-10-4-8-19-21/h2,4-6,8,10,13H,3,7,9,11-12,14H2,1H3
InChIKeyRMAFUGBAKXFLMI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.55
Rot. Bonds6

About 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one

1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one (PubChem CID 118765217) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
PubChem CID118765217
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)CCCn3cccn3)CC2=O)c1
InChIInChI=1S/C18H22N4O3/c1-25-16-6-2-5-15(13-16)22-12-11-20(14-18(22)24)17(23)7-3-9-21-10-4-8-19-21/h2,4-6,8,10,13H,3,7,9,11-12,14H2,1H3
InChIKeyRMAFUGBAKXFLMI-UHFFFAOYSA-N
XLogP1.55
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyrazol-1-ylbutan-1-one
CID 131896896
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 72901150
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
1-(3-methoxyphenyl)-4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-one
CID 70788872
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 91836779
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
4-[3-(4-methoxyphenyl)propanoyl]-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139023411
(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
CID 70714332

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one (CID 118765217) is 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)CCCn3cccn3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one?
The InChIKey is RMAFUGBAKXFLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-16-6-2-5-15(13-16)22-12-11-20(14-18(22)24)17(23)7-3-9-21-10-4-8-19-21/h2,4-6,8,10,13H,3,7,9,11-12,14H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one?
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one is sourced from PubChem (CID 118765217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).