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

C24H33N3O2 — CID 11474937

IUPAC8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1
InChIInChI=1S/C24H33N3O2/c28-22-17-24(9-3-4-10-24)18-23(29)27(22)16-13-25-11-14-26(15-12-25)21-6-2-1-5-20(21)19-7-8-19/h1-2,5-6,19H,3-4,7-18H2
InChIKeyIXXRJDPEMQTXTR-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.40
Rot. Bonds5

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

8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11474937) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11474937
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1
InChIInChI=1S/C24H33N3O2/c28-22-17-24(9-3-4-10-24)18-23(29)27(22)16-13-25-11-14-26(15-12-25)21-6-2-1-5-20(21)19-7-8-19/h1-2,5-6,19H,3-4,7-18H2
InChIKeyIXXRJDPEMQTXTR-UHFFFAOYSA-N
XLogP3.40
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11474937) is 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C2CC2)CC1.
What is the InChIKey of 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is IXXRJDPEMQTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-22-17-24(9-3-4-10-24)18-23(29)27(22)16-13-25-11-14-26(15-12-25)21-6-2-1-5-20(21)19-7-8-19/h1-2,5-6,19H,3-4,7-18H2.
What are the key properties of 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 395.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-cyclopropylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11474937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).