8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

C24H35N3O3 — CID 10319570

IUPAC8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3
InChIKeyRJNTXRMRYBQFCQ-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.31
Rot. Bonds7

About 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10319570) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10319570
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3
InChIKeyRJNTXRMRYBQFCQ-UHFFFAOYSA-N
XLogP3.31
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10319570) is 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is RJNTXRMRYBQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-30-21-9-3-2-8-20(21)26-16-14-25(15-17-26)12-6-7-13-27-22(28)18-24(19-23(27)29)10-4-5-11-24/h2-3,8-9H,4-7,10-19H2,1H3.
What are the key properties of 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 413.56 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10319570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).