2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

C22H26N4O2 — CID 2037218

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(N2CCN(CC(=O)N3NC=C[C@@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-9-7-19(8-10-20)25-15-13-24(14-16-25)17-22(27)26-21(11-12-23-26)18-5-3-2-4-6-18/h2-12,21,23H,13-17H2,1H3/t21-/m1/s1
InChIKeyBSLIXOSYBVIDSN-OAQYLSRUSA-N
MW378.48 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone (PubChem CID 2037218) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
PubChem CID2037218
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(N2CCN(CC(=O)N3NC=C[C@@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-9-7-19(8-10-20)25-15-13-24(14-16-25)17-22(27)26-21(11-12-23-26)18-5-3-2-4-6-18/h2-12,21,23H,13-17H2,1H3/t21-/m1/s1
InChIKeyBSLIXOSYBVIDSN-OAQYLSRUSA-N
XLogP2.42
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone
CID 8587483
N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33104690
(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine
CID 6369923

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone (CID 2037218) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone is COc1ccc(N2CCN(CC(=O)N3NC=C[C@@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
The InChIKey is BSLIXOSYBVIDSN-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-20-9-7-19(8-10-20)25-15-13-24(14-16-25)17-22(27)26-21(11-12-23-26)18-5-3-2-4-6-18/h2-12,21,23H,13-17H2,1H3/t21-/m1/s1.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone has a molecular weight of 378.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2037218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).