1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

C18H24N4O2 — CID 56798114

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCn3cc(C)cn3)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-15-13-19-22(14-15)8-7-18(23)21-11-9-20(10-12-21)16-3-5-17(24-2)6-4-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyGYFIWWBRGCCGJZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.94
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 56798114) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID56798114
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOc1ccc(N2CCN(C(=O)CCn3cc(C)cn3)CC2)cc1
InChIInChI=1S/C18H24N4O2/c1-15-13-19-22(14-15)8-7-18(23)21-11-9-20(10-12-21)16-3-5-17(24-2)6-4-16/h3-6,13-14H,7-12H2,1-2H3
InChIKeyGYFIWWBRGCCGJZ-UHFFFAOYSA-N
XLogP1.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 167761680
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688472
3-(4-ethylpiperazin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109017688
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 71986153
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4101950
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylimidazol-1-yl)propan-1-one
CID 44594645
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
1-(2,5-dimethylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 18104419
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 56798114) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is COc1ccc(N2CCN(C(=O)CCn3cc(C)cn3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is GYFIWWBRGCCGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-15-13-19-22(14-15)8-7-18(23)21-11-9-20(10-12-21)16-3-5-17(24-2)6-4-16/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 56798114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).