1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

C17H22N2O2 — CID 162629640

IUPAC1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCc1ccccc1C(=O)N1CCCC12CCCNC2=O
InChIInChI=1S/C17H22N2O2/c1-2-13-7-3-4-8-14(13)15(20)19-12-6-10-17(19)9-5-11-18-16(17)21/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyDPQIEDBYDGULNV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds2

About 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629640) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629640
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCc1ccccc1C(=O)N1CCCC12CCCNC2=O
InChIInChI=1S/C17H22N2O2/c1-2-13-7-3-4-8-14(13)15(20)19-12-6-10-17(19)9-5-11-18-16(17)21/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyDPQIEDBYDGULNV-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637914
1-(1-methyl-2-oxoquinoline-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316155
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 156587130
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631168
1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 20781160
1-(2,4,5-trimethylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163305486
1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163310700
3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
CID 104547897
1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 164699962
1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163305769
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162629640) is 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is CCc1ccccc1C(=O)N1CCCC12CCCNC2=O.
What is the InChIKey of 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is DPQIEDBYDGULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-13-7-3-4-8-14(13)15(20)19-12-6-10-17(19)9-5-11-18-16(17)21/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,18,21).
What are the key properties of 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 286.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).