4-benzyl-6,9-diazaspiro[4.5]decan-7-one

C15H20N2O — CID 66671410

IUPAC4-benzyl-6,9-diazaspiro[4.5]decan-7-one
SMILESO=C1CNCC2(CCCC2Cc2ccccc2)N1
InChIInChI=1S/C15H20N2O/c18-14-10-16-11-15(17-14)8-4-7-13(15)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2,(H,17,18)
InChIKeyWLMRSYQRASNHBL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.49
Rot. Bonds2

About 4-benzyl-6,9-diazaspiro[4.5]decan-7-one

4-benzyl-6,9-diazaspiro[4.5]decan-7-one (PubChem CID 66671410) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-benzyl-6,9-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name4-benzyl-6,9-diazaspiro[4.5]decan-7-one
PubChem CID66671410
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-benzyl-6,9-diazaspiro[4.5]decan-7-one
SMILESO=C1CNCC2(CCCC2Cc2ccccc2)N1
InChIInChI=1S/C15H20N2O/c18-14-10-16-11-15(17-14)8-4-7-13(15)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2,(H,17,18)
InChIKeyWLMRSYQRASNHBL-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6,9-diazaspiro[4.5]decan-7-one?
The IUPAC name of 4-benzyl-6,9-diazaspiro[4.5]decan-7-one (CID 66671410) is 4-benzyl-6,9-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for 4-benzyl-6,9-diazaspiro[4.5]decan-7-one?
The canonical SMILES for 4-benzyl-6,9-diazaspiro[4.5]decan-7-one is O=C1CNCC2(CCCC2Cc2ccccc2)N1.
What is the InChIKey of 4-benzyl-6,9-diazaspiro[4.5]decan-7-one?
The InChIKey is WLMRSYQRASNHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14-10-16-11-15(17-14)8-4-7-13(15)9-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2,(H,17,18).
What are the key properties of 4-benzyl-6,9-diazaspiro[4.5]decan-7-one?
4-benzyl-6,9-diazaspiro[4.5]decan-7-one has a molecular weight of 244.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6,9-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 66671410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).