(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone

C20H28N2O2 — CID 82038042

IUPAC(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESO=C(c1ccccc1OC1CCCCC1)N1CCC2(CCNC2)C1
InChIInChI=1S/C20H28N2O2/c23-19(22-13-11-20(15-22)10-12-21-14-20)17-8-4-5-9-18(17)24-16-6-2-1-3-7-16/h4-5,8-9,16,21H,1-3,6-7,10-15H2
InChIKeySUESLNIYZXESED-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.22
Rot. Bonds3

About (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone

(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone (PubChem CID 82038042) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
PubChem CID82038042
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESO=C(c1ccccc1OC1CCCCC1)N1CCC2(CCNC2)C1
InChIInChI=1S/C20H28N2O2/c23-19(22-13-11-20(15-22)10-12-21-14-20)17-8-4-5-9-18(17)24-16-6-2-1-3-7-16/h4-5,8-9,16,21H,1-3,6-7,10-15H2
InChIKeySUESLNIYZXESED-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
CID 82038235
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
CID 56752764
(2-bromophenyl) 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 116820006
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 154889705
2,7-diazaspiro[4.4]nonan-2-yl(imidazo[1,2-a]pyridin-8-yl)methanone
CID 110475073
(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 117044861
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyphenoxy)ethanone
CID 82038149
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
(2-cyclohexyloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125147466
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The IUPAC name of (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone (CID 82038042) is (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone.
What is the SMILES notation for (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The canonical SMILES for (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone is O=C(c1ccccc1OC1CCCCC1)N1CCC2(CCNC2)C1.
What is the InChIKey of (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The InChIKey is SUESLNIYZXESED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(22-13-11-20(15-22)10-12-21-14-20)17-8-4-5-9-18(17)24-16-6-2-1-3-7-16/h4-5,8-9,16,21H,1-3,6-7,10-15H2.
What are the key properties of (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone?
(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone is sourced from PubChem (CID 82038042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).