2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one

C24H28N4O2 — CID 86955131

IUPAC2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H28N4O2/c1-20(30-19-21-8-4-2-5-9-21)24(29)27-14-12-26(13-15-27)17-22-16-25-28(18-22)23-10-6-3-7-11-23/h2-11,16,18,20H,12-15,17,19H2,1H3
InChIKeyLLEDZJMEMSLRJL-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.12
Rot. Bonds7

About 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one

2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 86955131) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID86955131
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H28N4O2/c1-20(30-19-21-8-4-2-5-9-21)24(29)27-14-12-26(13-15-27)17-22-16-25-28(18-22)23-10-6-3-7-11-23/h2-11,16,18,20H,12-15,17,19H2,1H3
InChIKeyLLEDZJMEMSLRJL-UHFFFAOYSA-N
XLogP3.12
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
N-[1-oxo-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-2-yl]cyclobutanecarboxamide
CID 86955133
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
methyl 2-[3-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propanoylamino]acetate
CID 71931745
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
N-[1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 71932804
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 97089117
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 55652028
1-(4-benzylpiperazin-1-yl)-2-phthalazin-1-yloxypropan-1-one
CID 6415258
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one (CID 86955131) is 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one is CC(OCc1ccccc1)C(=O)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is LLEDZJMEMSLRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-20(30-19-21-8-4-2-5-9-21)24(29)27-14-12-26(13-15-27)17-22-16-25-28(18-22)23-10-6-3-7-11-23/h2-11,16,18,20H,12-15,17,19H2,1H3.
What are the key properties of 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86955131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).