1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one

C18H22N4O3 — CID 70763294

IUPAC1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C(C)n3cc(C)cn3)CC2=O)cc1
InChIInChI=1S/C18H22N4O3/c1-13-10-19-22(11-13)14(2)18(24)20-8-9-21(17(23)12-20)15-4-6-16(25-3)7-5-15/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyDXHXSAGFQXACDH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.64
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one

1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one (PubChem CID 70763294) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
PubChem CID70763294
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C(C)n3cc(C)cn3)CC2=O)cc1
InChIInChI=1S/C18H22N4O3/c1-13-10-19-22(11-13)14(2)18(24)20-8-9-21(17(23)12-20)15-4-6-16(25-3)7-5-15/h4-7,10-11,14H,8-9,12H2,1-3H3
InChIKeyDXHXSAGFQXACDH-UHFFFAOYSA-N
XLogP1.64
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-4-[(2S)-2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 96576364
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
CID 70722598
N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide
CID 96573729
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70720201
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 135093120
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 56880084
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 70769325
4-[(2R)-2-hydroxy-2-naphthalen-2-ylacetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70783427
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one (CID 70763294) is 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one is COc1ccc(N2CCN(C(=O)C(C)n3cc(C)cn3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
The InChIKey is DXHXSAGFQXACDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-10-19-22(11-13)14(2)18(24)20-8-9-21(17(23)12-20)15-4-6-16(25-3)7-5-15/h4-7,10-11,14H,8-9,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 70763294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).