2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

C18H26N2O — CID 58547509

IUPAC2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C18H26N2O/c1-15(2)19-11-8-18(9-12-19)10-13-20(17(18)21)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGFOHORSWRSPJHR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds3

About 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 58547509) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID58547509
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C18H26N2O/c1-15(2)19-11-8-18(9-12-19)10-13-20(17(18)21)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyGFOHORSWRSPJHR-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 58547509) is 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is CC(C)N1CCC2(CCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GFOHORSWRSPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15(2)19-11-8-18(9-12-19)10-13-20(17(18)21)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58547509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).