8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C22H31N3O3 — CID 10317939

IUPAC8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1
InChIInChI=1S/C22H31N3O3/c1-28-19-6-4-5-18(15-19)24-12-9-23(10-13-24)11-14-25-20(26)16-22(17-21(25)27)7-2-3-8-22/h4-6,15H,2-3,7-14,16-17H2,1H3
InChIKeyNJWNDAGSUKNZKV-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.53
Rot. Bonds5

About 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10317939) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10317939
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1
InChIInChI=1S/C22H31N3O3/c1-28-19-6-4-5-18(15-19)24-12-9-23(10-13-24)11-14-25-20(26)16-22(17-21(25)27)7-2-3-8-22/h4-6,15H,2-3,7-14,16-17H2,1H3
InChIKeyNJWNDAGSUKNZKV-UHFFFAOYSA-N
XLogP2.53
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10317939) is 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1.
What is the InChIKey of 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is NJWNDAGSUKNZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-19-6-4-5-18(15-19)24-12-9-23(10-13-24)11-14-25-20(26)16-22(17-21(25)27)7-2-3-8-22/h4-6,15H,2-3,7-14,16-17H2,1H3.
What are the key properties of 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 385.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10317939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).