9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H26N2O — CID 98896652

IUPAC9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ccc(CN2CCC3(CCC(=O)NC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-15-3-5-16(6-4-15)13-20-11-9-18(10-12-20)8-7-17(21)19-14-18/h3-6H,2,7-14H2,1H3,(H,19,21)
InChIKeyAWSIAHVJPFCIGH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.74
Rot. Bonds3

About 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98896652) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98896652
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ccc(CN2CCC3(CCC(=O)NC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-15-3-5-16(6-4-15)13-20-11-9-18(10-12-20)8-7-17(21)19-14-18/h3-6H,2,7-14H2,1H3,(H,19,21)
InChIKeyAWSIAHVJPFCIGH-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
1-[(4-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64881823
9-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 131911841
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
9-(2-methylsulfanylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896666
1-ethyl-9-[(4-ethylphenyl)methyl]-4-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398760
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
2-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 128550324
7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472972
(3R)-3-methyl-1'-[(4-methylphenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-4-one
CID 110074937

Frequently Asked Questions

What is the IUPAC name of 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 98896652) is 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCc1ccc(CN2CCC3(CCC(=O)NC3)CC2)cc1.
What is the InChIKey of 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AWSIAHVJPFCIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-15-3-5-16(6-4-15)13-20-11-9-18(10-12-20)8-7-17(21)19-14-18/h3-6H,2,7-14H2,1H3,(H,19,21).
What are the key properties of 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 286.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-ethylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98896652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).