1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone

C16H20N2O2 — CID 144801834

IUPAC1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCCc1ccc(C(=O)N2CC3(CN(C(C)=O)C3)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-4-6-14(7-5-13)15(20)18-10-16(11-18)8-17(9-16)12(2)19/h4-7H,3,8-11H2,1-2H3
InChIKeyYRAVUYHSJCFKRC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.55
Rot. Bonds2

About 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone

1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (PubChem CID 144801834) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
PubChem CID144801834
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCCc1ccc(C(=O)N2CC3(CN(C(C)=O)C3)C2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-13-4-6-14(7-5-13)15(20)18-10-16(11-18)8-17(9-16)12(2)19/h4-7H,3,8-11H2,1-2H3
InChIKeyYRAVUYHSJCFKRC-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The IUPAC name of 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (CID 144801834) is 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is CCc1ccc(C(=O)N2CC3(CN(C(C)=O)C3)C2)cc1.
What is the InChIKey of 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The InChIKey is YRAVUYHSJCFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-13-4-6-14(7-5-13)15(20)18-10-16(11-18)8-17(9-16)12(2)19/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is sourced from PubChem (CID 144801834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).