8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one

C16H23N3O — CID 160986677

IUPAC8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)NCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H23N3O/c1-2-19-15(20)17-13-16(19)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,17,20)
InChIKeyFELVBLGCNMVEMO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.07
Rot. Bonds3

About 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one

8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 160986677) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID160986677
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)NCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H23N3O/c1-2-19-15(20)17-13-16(19)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,17,20)
InChIKeyFELVBLGCNMVEMO-UHFFFAOYSA-N
XLogP2.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-methylpiperidin-4-ol
CID 10845913
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
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8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
8-benzyl-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 130677273

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 160986677) is 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one is CCN1C(=O)NCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is FELVBLGCNMVEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-19-15(20)17-13-16(19)8-10-18(11-9-16)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,17,20).
What are the key properties of 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one?
8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160986677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).