1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one

C22H28N2O3 — CID 11783562

IUPAC1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C22H28N2O3/c1-27-22-11-3-2-9-20(22)24-15-13-23(14-16-24)12-5-4-10-21(26)18-7-6-8-19(25)17-18/h2-3,6-9,11,17,25H,4-5,10,12-16H2,1H3
InChIKeyVRSBIIKXTBNKRP-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.58
Rot. Bonds8

About 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one

1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one (PubChem CID 11783562) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
PubChem CID11783562
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C22H28N2O3/c1-27-22-11-3-2-9-20(22)24-15-13-23(14-16-24)12-5-4-10-21(26)18-7-6-8-19(25)17-18/h2-3,6-9,11,17,25H,4-5,10,12-16H2,1H3
InChIKeyVRSBIIKXTBNKRP-UHFFFAOYSA-N
XLogP3.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fluanisone
CID 15139
2-(((4-(2-Methoxyphenyl)-1-piperazinyl)imino)methyl)benzoic acid
CID 5347749
6-acetyl-3-(4-(4-(4-fluorophenyl)piperazin-1-yl)butyl)benzo(d)oxazol-2(3H)-one
CID 24763643
Azepan-1-yl-{3-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10811379
3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-(4-methoxy-phenyl)-N-methyl-benzamide
CID 11081612
(4-Methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 722098
(2-Methoxyphenyl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3335915
1-(4-Fluorophenyl)-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethanone
CID 28307
3-methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 10406796
1-(3-Methoxy-phenyl)-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butan-1-one
CID 11726532
4-Acetyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide
CID 11761374
N,N-Dibutyl-3-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzamide
CID 11798397

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one (CID 11783562) is 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one is COc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is VRSBIIKXTBNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-22-11-3-2-9-20(22)24-15-13-23(14-16-24)12-5-4-10-21(26)18-7-6-8-19(25)17-18/h2-3,6-9,11,17,25H,4-5,10,12-16H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 11783562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).