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

C22H28N2O3 — CID 11025015

IUPAC1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1
InChIInChI=1S/C22H28N2O3/c1-27-22-12-5-3-9-19(22)24-16-14-23(15-17-24)13-7-6-11-21(26)18-8-2-4-10-20(18)25/h2-5,8-10,12,25H,6-7,11,13-17H2,1H3
InChIKeyGWSVWAFZLGWAGM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.58
Rot. Bonds8

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

1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one (PubChem CID 11025015) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
PubChem CID11025015
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
SMILESCOc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1
InChIInChI=1S/C22H28N2O3/c1-27-22-12-5-3-9-19(22)24-16-14-23(15-17-24)13-7-6-11-21(26)18-8-2-4-10-20(18)25/h2-5,8-10,12,25H,6-7,11,13-17H2,1H3
InChIKeyGWSVWAFZLGWAGM-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
Azepan-1-yl-{3-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10811379
(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
2-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-6,8-dimethyl-4H-chromen-4-one
CID 4970947
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
2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
CID 25256816
4-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}benzoic acid
CID 698094

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one (CID 11025015) is 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one is COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1.
What is the InChIKey of 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is GWSVWAFZLGWAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-22-12-5-3-9-19(22)24-16-14-23(15-17-24)13-7-6-11-21(26)18-8-2-4-10-20(18)25/h2-5,8-10,12,25H,6-7,11,13-17H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one?
1-(2-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-(2-hydroxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 11025015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).