(6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone

C18H26N2O2 — CID 156519247

IUPAC(6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC23CCN(C(C)(C)C)CC3)cc1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)19-11-9-18(10-12-19)13-20(18)16(21)14-5-7-15(22-4)8-6-14/h5-8H,9-13H2,1-4H3
InChIKeyOEUIFBGVLQBETH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.78
Rot. Bonds2

About (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone

(6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 156519247) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone
PubChem CID156519247
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC23CCN(C(C)(C)C)CC3)cc1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)19-11-9-18(10-12-19)13-20(18)16(21)14-5-7-15(22-4)8-6-14/h5-8H,9-13H2,1-4H3
InChIKeyOEUIFBGVLQBETH-UHFFFAOYSA-N
XLogP2.78
TPSA32.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxybenzoyl)-2,2-dimethylpiperidin-3-one
CID 115269266
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 3281461
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(2,2-dimethyl-1,4-diazepan-1-yl)-(4-methoxyphenyl)methanone
CID 82246402
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
(6,7-dimethoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)-(4-methoxyphenyl)methanone
CID 4615812

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone (CID 156519247) is (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC23CCN(C(C)(C)C)CC3)cc1.
What is the InChIKey of (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is OEUIFBGVLQBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)19-11-9-18(10-12-19)13-20(18)16(21)14-5-7-15(22-4)8-6-14/h5-8H,9-13H2,1-4H3.
What are the key properties of (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone?
(6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-1,6-diazaspiro[2.5]octan-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 156519247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).