4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one

C28H34N2O5 — CID 55713085

IUPAC4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
SMILESCOc1ccc(CN2CCN(C(=O)CCCOc3cccc4ccccc34)CC2)c(OC)c1OC
InChIInChI=1S/C28H34N2O5/c1-32-25-14-13-22(27(33-2)28(25)34-3)20-29-15-17-30(18-16-29)26(31)12-7-19-35-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,13-14H,7,12,15-20H2,1-3H3
InChIKeyLXLFEOOYBZYEQF-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.37
Rot. Bonds10

About 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one

4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 55713085) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
PubChem CID55713085
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
SMILESCOc1ccc(CN2CCN(C(=O)CCCOc3cccc4ccccc34)CC2)c(OC)c1OC
InChIInChI=1S/C28H34N2O5/c1-32-25-14-13-22(27(33-2)28(25)34-3)20-29-15-17-30(18-16-29)26(31)12-7-19-35-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,13-14H,7,12,15-20H2,1-3H3
InChIKeyLXLFEOOYBZYEQF-UHFFFAOYSA-N
XLogP4.37
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 60601108
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 110398993
N-[4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]cyclopropanecarboxamide
CID 39953095
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
4-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55826511
1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-4-naphthalen-1-yloxybutan-1-one
CID 55918821
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one (CID 55713085) is 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one is COc1ccc(CN2CCN(C(=O)CCCOc3cccc4ccccc34)CC2)c(OC)c1OC.
What is the InChIKey of 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is LXLFEOOYBZYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-32-25-14-13-22(27(33-2)28(25)34-3)20-29-15-17-30(18-16-29)26(31)12-7-19-35-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,13-14H,7,12,15-20H2,1-3H3.
What are the key properties of 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one?
4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 478.59 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 55713085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).