[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate

C24H30N2O3 — CID 20532689

IUPAC[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-19(27)29-23-10-7-22(8-11-23)26-15-13-25(14-16-26)12-3-17-28-24-9-6-20-4-2-5-21(20)18-24/h6-11,18H,2-5,12-17H2,1H3
InChIKeyDZJGVXTWLFUCHK-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.69
Rot. Bonds7

About [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate

[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate (PubChem CID 20532689) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate
PubChem CID20532689
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-19(27)29-23-10-7-22(8-11-23)26-15-13-25(14-16-26)12-3-17-28-24-9-6-20-4-2-5-21(20)18-24/h6-11,18H,2-5,12-17H2,1H3
InChIKeyDZJGVXTWLFUCHK-UHFFFAOYSA-N
XLogP3.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate 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

1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-nitrophenyl)piperazine
CID 13059006
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826
1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 45260939
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
7-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-ol
CID 135339905
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697649
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
CID 2993601
6-[3-(4-phenylpiperazin-1-yl)propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45264711

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate?
The IUPAC name of [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate (CID 20532689) is [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate.
What is the SMILES notation for [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate?
The canonical SMILES for [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate is CC(=O)Oc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate?
The InChIKey is DZJGVXTWLFUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-19(27)29-23-10-7-22(8-11-23)26-15-13-25(14-16-26)12-3-17-28-24-9-6-20-4-2-5-21(20)18-24/h6-11,18H,2-5,12-17H2,1H3.
What are the key properties of [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate?
[4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate has a molecular weight of 394.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazin-1-yl]phenyl] acetate is sourced from PubChem (CID 20532689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).