8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H32N4O2 — CID 26140834

IUPAC8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C25H32N4O2/c1-20(2)10-14-29-24(31)28(19-22-9-6-13-26-17-22)23(30)25(29)11-15-27(16-12-25)18-21-7-4-3-5-8-21/h3-9,13,17,20H,10-12,14-16,18-19H2,1-2H3
InChIKeyPQMNJLORZUJOCR-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.93
Rot. Bonds7

About 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26140834) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26140834
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C25H32N4O2/c1-20(2)10-14-29-24(31)28(19-22-9-6-13-26-17-22)23(30)25(29)11-15-27(16-12-25)18-21-7-4-3-5-8-21/h3-9,13,17,20H,10-12,14-16,18-19H2,1-2H3
InChIKeyPQMNJLORZUJOCR-UHFFFAOYSA-N
XLogP3.93
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26140834) is 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PQMNJLORZUJOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-20(2)10-14-29-24(31)28(19-22-9-6-13-26-17-22)23(30)25(29)11-15-27(16-12-25)18-21-7-4-3-5-8-21/h3-9,13,17,20H,10-12,14-16,18-19H2,1-2H3.
What are the key properties of 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 420.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26140834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).