2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone

C15H20N2O — CID 138702417

IUPAC2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CC3(CCNC3)C2)cc1
InChIInChI=1S/C15H20N2O/c1-2-12-3-5-13(6-4-12)14(18)17-10-15(11-17)7-8-16-9-15/h3-6,16H,2,7-11H2,1H3
InChIKeyQALAQTGXDBPKFY-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.68
Rot. Bonds2

About 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone

2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone (PubChem CID 138702417) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone
PubChem CID138702417
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CC3(CCNC3)C2)cc1
InChIInChI=1S/C15H20N2O/c1-2-12-3-5-13(6-4-12)14(18)17-10-15(11-17)7-8-16-9-15/h3-6,16H,2,7-11H2,1H3
InChIKeyQALAQTGXDBPKFY-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 144801834
2,7-diazaspiro[3.5]nonan-2-yl(phenyl)methanone;hydrochloride
CID 141390941
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
2,7-diazaspiro[4.4]nonan-2-yl-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 82037964
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone
CID 102849550
2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
CID 119063833

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone?
The IUPAC name of 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone (CID 138702417) is 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone.
What is the SMILES notation for 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone?
The canonical SMILES for 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CC3(CCNC3)C2)cc1.
What is the InChIKey of 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone?
The InChIKey is QALAQTGXDBPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-12-3-5-13(6-4-12)14(18)17-10-15(11-17)7-8-16-9-15/h3-6,16H,2,7-11H2,1H3.
What are the key properties of 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone?
2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone is sourced from PubChem (CID 138702417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).