3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

C15H22N4O — CID 71977107

IUPAC3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1[nH]cnc1C1NC2(CCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C15H22N4O/c1-10-12(17-9-16-10)13-18-15(6-2-3-7-15)14(20)19(13)8-11-4-5-11/h9,11,13,18H,2-8H2,1H3,(H,16,17)
InChIKeyQWCUCQOWYYUEIA-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.87
Rot. Bonds3

About 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 71977107) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID71977107
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1[nH]cnc1C1NC2(CCCC2)C(=O)N1CC1CC1
InChIInChI=1S/C15H22N4O/c1-10-12(17-9-16-10)13-18-15(6-2-3-7-15)14(20)19(13)8-11-4-5-11/h9,11,13,18H,2-8H2,1H3,(H,16,17)
InChIKeyQWCUCQOWYYUEIA-UHFFFAOYSA-N
XLogP1.87
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 75376872
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one
CID 97228894
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile
CID 97221701
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-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107299046
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 71977107) is 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is Cc1[nH]cnc1C1NC2(CCCC2)C(=O)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is QWCUCQOWYYUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-12(17-9-16-10)13-18-15(6-2-3-7-15)14(20)19(13)8-11-4-5-11/h9,11,13,18H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 274.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 71977107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).