(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone

C16H22N2O2 — CID 134078666

IUPAC(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CCN(C)C3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-17-8-6-16(11-17)7-9-18(12-16)15(19)13-4-3-5-14(10-13)20-2/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyGFWZOIMVNSZBBL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.86
Rot. Bonds2

About (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone

(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone (PubChem CID 134078666) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
PubChem CID134078666
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CCN(C)C3)C2)c1
InChIInChI=1S/C16H22N2O2/c1-17-8-6-16(11-17)7-9-18(12-16)15(19)13-4-3-5-14(10-13)20-2/h3-5,10H,6-9,11-12H2,1-2H3
InChIKeyGFWZOIMVNSZBBL-UHFFFAOYSA-N
XLogP1.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
(7-methoxyquinolin-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 171681019
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-[8-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97370042
1-(3-methoxybenzoyl)-3,3-dimethylpiperidin-4-one
CID 115269709
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 97276888
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone (CID 134078666) is (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone is COc1cccc(C(=O)N2CCC3(CCN(C)C3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The InChIKey is GFWZOIMVNSZBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-8-6-16(11-17)7-9-18(12-16)15(19)13-4-3-5-14(10-13)20-2/h3-5,10H,6-9,11-12H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone is sourced from PubChem (CID 134078666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).