7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one

C18H22N2O3 — CID 131649039

IUPAC7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCOc1ccc(N2CC3(CCN(C(=O)C4CC4)C3)CC2=O)cc1
InChIInChI=1S/C18H22N2O3/c1-23-15-6-4-14(5-7-15)20-12-18(10-16(20)21)8-9-19(11-18)17(22)13-2-3-13/h4-7,13H,2-3,8-12H2,1H3
InChIKeyQHLIXXJRXSJRLO-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.06
Rot. Bonds3

About 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one

7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131649039) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131649039
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCOc1ccc(N2CC3(CCN(C(=O)C4CC4)C3)CC2=O)cc1
InChIInChI=1S/C18H22N2O3/c1-23-15-6-4-14(5-7-15)20-12-18(10-16(20)21)8-9-19(11-18)17(22)13-2-3-13/h4-7,13H,2-3,8-12H2,1H3
InChIKeyQHLIXXJRXSJRLO-UHFFFAOYSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134073060
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690849
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245
7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690115
7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690379
N-[1-(cyclopropanecarbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
CID 1444021
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
2-(4-methylphenyl)-7-(2-phenylacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134070621
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
7-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118745443
7-[2-(dimethylamino)acetyl]-2-(3-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155854850

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131649039) is 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one is COc1ccc(N2CC3(CCN(C(=O)C4CC4)C3)CC2=O)cc1.
What is the InChIKey of 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is QHLIXXJRXSJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-15-6-4-14(5-7-15)20-12-18(10-16(20)21)8-9-19(11-18)17(22)13-2-3-13/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 314.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131649039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).