7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

C16H22N2OS — CID 131643245

IUPAC7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(CC4CC4)C3)CC2=O)s1
InChIInChI=1S/C16H22N2OS/c1-12-2-5-15(20-12)18-11-16(8-14(18)19)6-7-17(10-16)9-13-3-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyLQVHDNGBTBMCLE-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.90
Rot. Bonds3

About 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131643245) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131643245
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2CC3(CCN(CC4CC4)C3)CC2=O)s1
InChIInChI=1S/C16H22N2OS/c1-12-2-5-15(20-12)18-11-16(8-14(18)19)6-7-17(10-16)9-13-3-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyLQVHDNGBTBMCLE-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
1-(5-Methylthiophen-2-yl)pyrrolidin-2-one
CID 101198751
(5S)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97373975
(5R)-2-(3-fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97373976
(5S)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373985
(5R)-2-(3-fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373986
2-(3-Fluorophenyl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131652380
7-(1-Fluorocyclobutanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131685204
2-(5-Methylthiophen-2-yl)-7-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155834946
7-(Cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155834947
7-(2-Hydroxyethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155836570
7-(Cyclopropanecarbonyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131658633

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131643245) is 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2CC3(CCN(CC4CC4)C3)CC2=O)s1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is LQVHDNGBTBMCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-2-5-15(20-12)18-11-16(8-14(18)19)6-7-17(10-16)9-13-3-4-13/h2,5,13H,3-4,6-11H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 290.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131643245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).