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

C22H28N2O2 — CID 55334269

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-3-7-21(18-8-5-4-6-9-18)22(25)24-16-14-23(15-17-24)19-10-12-20(26-2)13-11-19/h4-6,8-13,21H,3,7,14-17H2,1-2H3
InChIKeyNBZUXZPYTIDKDM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.93
Rot. Bonds6

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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one (PubChem CID 55334269) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
PubChem CID55334269
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-3-7-21(18-8-5-4-6-9-18)22(25)24-16-14-23(15-17-24)19-10-12-20(26-2)13-11-19/h4-6,8-13,21H,3,7,14-17H2,1-2H3
InChIKeyNBZUXZPYTIDKDM-UHFFFAOYSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 17217120
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 55919041
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
(2S)-2-(2-ethylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 92646949
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenyl-2-pyrrol-1-ylpropan-1-one
CID 5307622
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132663670

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one (CID 55334269) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one is CCCC(C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one?
The InChIKey is NBZUXZPYTIDKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-7-21(18-8-5-4-6-9-18)22(25)24-16-14-23(15-17-24)19-10-12-20(26-2)13-11-19/h4-6,8-13,21H,3,7,14-17H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one is sourced from PubChem (CID 55334269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).