2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione

C27H32N2O2 — CID 67551830

IUPAC2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCC(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C27H32N2O2/c30-26-24-9-3-4-10-25(24)27(31)29(26)16-6-5-15-28-17-13-21(14-18-28)23-12-11-20-7-1-2-8-22(20)19-23/h3-4,9-12,19,21H,1-2,5-8,13-18H2
InChIKeyRFFXWIBEEJPNPX-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.82
Rot. Bonds6

About 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione

2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione (PubChem CID 67551830) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
PubChem CID67551830
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCC(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C27H32N2O2/c30-26-24-9-3-4-10-25(24)27(31)29(26)16-6-5-15-28-17-13-21(14-18-28)23-12-11-20-7-1-2-8-22(20)19-23/h3-4,9-12,19,21H,1-2,5-8,13-18H2
InChIKeyRFFXWIBEEJPNPX-UHFFFAOYSA-N
XLogP4.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[5-(4-phenylpiperidin-1-yl)pentyl]-4,5-dihydro-2-benzazepine-1,3-dione
CID 19813050
2-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 20718041
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]isoindole-1,3-dione
CID 71606440
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
2-[4-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 67551931
2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 57118627
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione (CID 67551830) is 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCN1CCC(c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione?
The InChIKey is RFFXWIBEEJPNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c30-26-24-9-3-4-10-25(24)27(31)29(26)16-6-5-15-28-17-13-21(14-18-28)23-12-11-20-7-1-2-8-22(20)19-23/h3-4,9-12,19,21H,1-2,5-8,13-18H2.
What are the key properties of 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione?
2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione has a molecular weight of 416.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione is sourced from PubChem (CID 67551830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).