7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one

C16H20N2O3S — CID 131690849

IUPAC7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CC(O)C1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C16H20N2O3S/c19-13-5-11(6-13)15(21)17-3-2-16(9-17)7-14(20)18(10-16)12-1-4-22-8-12/h1,4,8,11,13,19H,2-3,5-7,9-10H2
InChIKeyMERPOBMMNXEVSG-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.47
Rot. Bonds2

About 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one

7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131690849) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131690849
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CC(O)C1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C16H20N2O3S/c19-13-5-11(6-13)15(21)17-3-2-16(9-17)7-14(20)18(10-16)12-1-4-22-8-12/h1,4,8,11,13,19H,2-3,5-7,9-10H2
InChIKeyMERPOBMMNXEVSG-UHFFFAOYSA-N
XLogP1.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690379
7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690115
7-(pyrrolidine-1-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 134077497
2-(3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 131656083
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131691070
1-phenyl-4-[8-(3-thiophen-3-ylprop-2-enoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one
CID 3835086
7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134073060
9-(pyrazine-2-carbonyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451112

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 131690849) is 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C(C1CC(O)C1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1.
What is the InChIKey of 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is MERPOBMMNXEVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-13-5-11(6-13)15(21)17-3-2-16(9-17)7-14(20)18(10-16)12-1-4-22-8-12/h1,4,8,11,13,19H,2-3,5-7,9-10H2.
What are the key properties of 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 320.41 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131690849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).