4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one

C14H19N3O — CID 46195333

IUPAC4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12/h1-5,15-16H,6-11H2
InChIKeyMVQOVMPKXALKAP-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.70
Rot. Bonds2

About 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one

4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 46195333) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID46195333
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CNC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12/h1-5,15-16H,6-11H2
InChIKeyMVQOVMPKXALKAP-UHFFFAOYSA-N
XLogP0.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 46195333) is 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one is O=C1CNC2(CCNCC2)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is MVQOVMPKXALKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-13-10-16-14(6-8-15-9-7-14)17(13)11-12-4-2-1-3-5-12/h1-5,15-16H,6-11H2.
What are the key properties of 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one?
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 245.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46195333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).