(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone

C18H26N2O — CID 121450337

IUPAC(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
SMILESCN1CCCC12CN(C(=O)c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C18H26N2O/c1-17(2,3)15-8-6-14(7-9-15)16(21)20-12-18(13-20)10-5-11-19(18)4/h6-9H,5,10-13H2,1-4H3
InChIKeyBXGUSGMWXBGEAZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.90
Rot. Bonds1

About (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone

(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone (PubChem CID 121450337) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
PubChem CID121450337
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
SMILESCN1CCCC12CN(C(=O)c1ccc(C(C)(C)C)cc1)C2
InChIInChI=1S/C18H26N2O/c1-17(2,3)15-8-6-14(7-9-15)16(21)20-12-18(13-20)10-5-11-19(18)4/h6-9H,5,10-13H2,1-4H3
InChIKeyBXGUSGMWXBGEAZ-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
CID 155901303
1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121450349
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(4-tert-butylphenyl)-(3-hydroxy-3-phenylpiperidin-1-yl)methanone
CID 10664700
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
(4-tert-butylphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 90510436
4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride
CID 167917016
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone (CID 121450337) is (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone is CN1CCCC12CN(C(=O)c1ccc(C(C)(C)C)cc1)C2.
What is the InChIKey of (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone?
The InChIKey is BXGUSGMWXBGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)15-8-6-14(7-9-15)16(21)20-12-18(13-20)10-5-11-19(18)4/h6-9H,5,10-13H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone?
(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 121450337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).