8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C28H36N4O2 — CID 122181340

IUPAC8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H36N4O2/c33-26-28(15-13-24(14-16-28)23-9-3-1-4-10-23)29-27(34)32(26)18-8-7-17-30-19-21-31(22-20-30)25-11-5-2-6-12-25/h1-6,9-12,24H,7-8,13-22H2,(H,29,34)
InChIKeyGYSKALQVOMDDDP-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.24
Rot. Bonds7

About 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 122181340) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID122181340
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H36N4O2/c33-26-28(15-13-24(14-16-28)23-9-3-1-4-10-23)29-27(34)32(26)18-8-7-17-30-19-21-31(22-20-30)25-11-5-2-6-12-25/h1-6,9-12,24H,7-8,13-22H2,(H,29,34)
InChIKeyGYSKALQVOMDDDP-UHFFFAOYSA-N
XLogP4.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 122181340) is 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1CCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GYSKALQVOMDDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c33-26-28(15-13-24(14-16-28)23-9-3-1-4-10-23)29-27(34)32(26)18-8-7-17-30-19-21-31(22-20-30)25-11-5-2-6-12-25/h1-6,9-12,24H,7-8,13-22H2,(H,29,34).
What are the key properties of 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 460.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 122181340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).