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

C18H24N2O2 — CID 121450349

IUPAC1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCC(=O)N1CC2(C1)CN(C(=O)c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C18H24N2O2/c1-13(21)19-9-18(10-19)11-20(12-18)16(22)14-5-7-15(8-6-14)17(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyDTMWTWIPZOWFNJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.29
Rot. Bonds1

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

1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (PubChem CID 121450349) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
PubChem CID121450349
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCC(=O)N1CC2(C1)CN(C(=O)c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C18H24N2O2/c1-13(21)19-9-18(10-19)11-20(12-18)16(22)14-5-7-15(8-6-14)17(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyDTMWTWIPZOWFNJ-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121451774
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-tert-butylphenyl)-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 71789560
1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 144801834
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
CID 121450337
1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 167033019
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
1-[2-(4-methoxy-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121342415
1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone
CID 159764673
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
(4-tert-butylphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110473575

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The IUPAC name of 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (CID 121450349) is 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.
What is the SMILES notation for 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The canonical SMILES for 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is CC(=O)N1CC2(C1)CN(C(=O)c1ccc(C(C)(C)C)cc1)C2.
What is the InChIKey of 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The InChIKey is DTMWTWIPZOWFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(21)19-9-18(10-19)11-20(12-18)16(22)14-5-7-15(8-6-14)17(2,3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone has a molecular weight of 300.40 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is sourced from PubChem (CID 121450349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).