1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone

C17H22N2O2 — CID 167033019

IUPAC1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCCc1ccc(C(=O)N2CC3(CN(C(C)=O)C3)C2)cc1C
InChIInChI=1S/C17H22N2O2/c1-4-14-5-6-15(7-12(14)2)16(21)19-10-17(11-19)8-18(9-17)13(3)20/h5-7H,4,8-11H2,1-3H3
InChIKeyLAXJVZQLJRZGQV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.86
Rot. Bonds2

About 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone

1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (PubChem CID 167033019) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
PubChem CID167033019
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCCc1ccc(C(=O)N2CC3(CN(C(C)=O)C3)C2)cc1C
InChIInChI=1S/C17H22N2O2/c1-4-14-5-6-15(7-12(14)2)16(21)19-10-17(11-19)8-18(9-17)13(3)20/h5-7H,4,8-11H2,1-3H3
InChIKeyLAXJVZQLJRZGQV-UHFFFAOYSA-N
XLogP1.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
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
1-[2-(4-methoxy-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121342415
1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121451774
1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121450349
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
CID 166828507
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one
CID 171834173
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
CID 117282618
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The IUPAC name of 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (CID 167033019) is 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is CCc1ccc(C(=O)N2CC3(CN(C(C)=O)C3)C2)cc1C.
What is the InChIKey of 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The InChIKey is LAXJVZQLJRZGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-14-5-6-15(7-12(14)2)16(21)19-10-17(11-19)8-18(9-17)13(3)20/h5-7H,4,8-11H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is sourced from PubChem (CID 167033019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).