5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one

C22H28N2O2 — CID 11121721

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-26-22-13-6-5-11-20(22)24-17-15-23(16-18-24)14-8-7-12-21(25)19-9-3-2-4-10-19/h2-6,9-11,13H,7-8,12,14-18H2,1H3
InChIKeyVGWKAEMXRPLFIS-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.87
Rot. Bonds8

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one

5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one (PubChem CID 11121721) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one
PubChem CID11121721
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-26-22-13-6-5-11-20(22)24-17-15-23(16-18-24)14-8-7-12-21(25)19-9-3-2-4-10-19/h2-6,9-11,13H,7-8,12,14-18H2,1H3
InChIKeyVGWKAEMXRPLFIS-UHFFFAOYSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fluanisone
CID 15139
AR-C-239
CID 609483
2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
GR-103691
CID 4302960
Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
Nan 190
CID 4431
Mazapertine
CID 60820
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
2-(((4-(2-Methoxyphenyl)-1-piperazinyl)imino)methyl)benzoic acid
CID 5347749
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one (CID 11121721) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one is COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one?
The InChIKey is VGWKAEMXRPLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-22-13-6-5-11-20(22)24-17-15-23(16-18-24)14-8-7-12-21(25)19-9-3-2-4-10-19/h2-6,9-11,13H,7-8,12,14-18H2,1H3.
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpentan-1-one is sourced from PubChem (CID 11121721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).