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

C22H31N3O4 — CID 4742678

IUPAC8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CCON2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H31N3O4/c1-28-19-7-3-2-6-18(19)24-12-10-23(11-13-24)14-15-29-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChIKeyOFDPQLQCHAJCNC-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.46
Rot. Bonds6

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

8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 4742678) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID4742678
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1N1CCN(CCON2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H31N3O4/c1-28-19-7-3-2-6-18(19)24-12-10-23(11-13-24)14-15-29-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChIKeyOFDPQLQCHAJCNC-UHFFFAOYSA-N
XLogP2.46
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione with MolForge

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Related Compounds

8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CID 2419
Bmy-7378
CID 210172
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
Umespirone
CID 70695676
1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 10340555
8-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 10719846
8-[2-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 10093165
8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11154198
8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decan-7-one
CID 11303253
4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11418453
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclohexanecarboxamide
CID 44276536
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 44458662

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione (CID 4742678) is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione is COc1ccccc1N1CCN(CCON2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is OFDPQLQCHAJCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-28-19-7-3-2-6-18(19)24-12-10-23(11-13-24)14-15-29-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3.
What are the key properties of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 401.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 4742678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).