(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one

C17H24N2O3 — CID 97228894

IUPAC(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCOCc1ccc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)o1
InChIInChI=1S/C17H24N2O3/c1-21-11-13-6-7-14(22-13)15-18-17(8-2-3-9-17)16(20)19(15)10-12-4-5-12/h6-7,12,15,18H,2-5,8-11H2,1H3/t15-/m0/s1
InChIKeyRKTBELVGQUZYQP-HNNXBMFYSA-N
MW304.39 g/mol
LogP2.58
Rot. Bonds5

About (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one

(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 97228894) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID97228894
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCOCc1ccc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)o1
InChIInChI=1S/C17H24N2O3/c1-21-11-13-6-7-14(22-13)15-18-17(8-2-3-9-17)16(20)19(15)10-12-4-5-12/h6-7,12,15,18H,2-5,8-11H2,1H3/t15-/m0/s1
InChIKeyRKTBELVGQUZYQP-HNNXBMFYSA-N
XLogP2.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile
CID 97221701
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 75376872
3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 71977107
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246999
2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one (CID 97228894) is (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one is COCc1ccc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)o1.
What is the InChIKey of (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is RKTBELVGQUZYQP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-11-13-6-7-14(22-13)15-18-17(8-2-3-9-17)16(20)19(15)10-12-4-5-12/h6-7,12,15,18H,2-5,8-11H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one?
(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 304.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 97228894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).