4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione

C28H31N3O4 — CID 30854081

IUPAC4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione
SMILESCOCCCN1C(=O)c2cccc(N3CCN(Cc4c(OC)ccc5ccccc45)CC3)c2C1=O
InChIInChI=1S/C28H31N3O4/c1-34-18-6-13-31-27(32)22-9-5-10-24(26(22)28(31)33)30-16-14-29(15-17-30)19-23-21-8-4-3-7-20(21)11-12-25(23)35-2/h3-5,7-12H,6,13-19H2,1-2H3
InChIKeyCOELXHNIXJMHNM-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.80
Rot. Bonds8

About 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione

4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione (PubChem CID 30854081) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione
PubChem CID30854081
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione
SMILESCOCCCN1C(=O)c2cccc(N3CCN(Cc4c(OC)ccc5ccccc45)CC3)c2C1=O
InChIInChI=1S/C28H31N3O4/c1-34-18-6-13-31-27(32)22-9-5-10-24(26(22)28(31)33)30-16-14-29(15-17-30)19-23-21-8-4-3-7-20(21)11-12-25(23)35-2/h3-5,7-12H,6,13-19H2,1-2H3
InChIKeyCOELXHNIXJMHNM-UHFFFAOYSA-N
XLogP3.80
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione 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-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
4-amino-2-(3-methoxypropyl)isoindole-1,3-dione
CID 43153305
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855934
2-(1-benzothiophen-2-ylmethyl)-4-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]isoindole-1,3-dione
CID 26360594
4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
CID 58295952
2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione
CID 23627894
2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione
CID 23627892
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione
CID 42381762
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
(3R)-N-benzyl-1-[2-(3-methoxypropyl)-1,3-dioxoisoindol-4-yl]-N-methylpiperidine-3-carboxamide
CID 42480022

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione?
The IUPAC name of 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione (CID 30854081) is 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione?
The canonical SMILES for 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione is COCCCN1C(=O)c2cccc(N3CCN(Cc4c(OC)ccc5ccccc45)CC3)c2C1=O.
What is the InChIKey of 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione?
The InChIKey is COELXHNIXJMHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-34-18-6-13-31-27(32)22-9-5-10-24(26(22)28(31)33)30-16-14-29(15-17-30)19-23-21-8-4-3-7-20(21)11-12-25(23)35-2/h3-5,7-12H,6,13-19H2,1-2H3.
What are the key properties of 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione?
4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione has a molecular weight of 473.57 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 30854081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).