8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

C27H37N3O3 — CID 3088095

IUPAC8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC3)c2c1
InChIInChI=1S/C27H37N3O3/c1-33-21-6-7-24-22(16-21)23(19-28-24)20-8-14-29(15-9-20)12-4-5-13-30-25(31)17-27(18-26(30)32)10-2-3-11-27/h6-7,16,19-20,28H,2-5,8-15,17-18H2,1H3
InChIKeyLCKKOPBUOJSSGK-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.85
Rot. Bonds7

About 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 3088095) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID3088095
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC3)c2c1
InChIInChI=1S/C27H37N3O3/c1-33-21-6-7-24-22(16-21)23(19-28-24)20-8-14-29(15-9-20)12-4-5-13-30-25(31)17-27(18-26(30)32)10-2-3-11-27/h6-7,16,19-20,28H,2-5,8-15,17-18H2,1H3
InChIKeyLCKKOPBUOJSSGK-UHFFFAOYSA-N
XLogP4.85
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 3088095) is 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CC3)c2c1.
What is the InChIKey of 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is LCKKOPBUOJSSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-33-21-6-7-24-22(16-21)23(19-28-24)20-8-14-29(15-9-20)12-4-5-13-30-25(31)17-27(18-26(30)32)10-2-3-11-27/h6-7,16,19-20,28H,2-5,8-15,17-18H2,1H3.
What are the key properties of 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 451.61 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 3088095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).