9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C15H22N4O3 — CID 162633197

IUPAC9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1[nH]cnc1C(=O)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C15H22N4O3/c1-11-12(17-10-16-11)13(21)19-7-3-5-15(19)4-2-6-18(8-9-20)14(15)22/h10,20H,2-9H2,1H3,(H,16,17)
InChIKeyAYUDIAGYLZJADR-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.31
Rot. Bonds3

About 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162633197) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162633197
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1[nH]cnc1C(=O)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C15H22N4O3/c1-11-12(17-10-16-11)13(21)19-7-3-5-15(19)4-2-6-18(8-9-20)14(15)22/h10,20H,2-9H2,1H3,(H,16,17)
InChIKeyAYUDIAGYLZJADR-UHFFFAOYSA-N
XLogP0.31
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162633197) is 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1[nH]cnc1C(=O)N1CCCC12CCCN(CCO)C2=O.
What is the InChIKey of 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is AYUDIAGYLZJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-12(17-10-16-11)13(21)19-7-3-5-15(19)4-2-6-18(8-9-20)14(15)22/h10,20H,2-9H2,1H3,(H,16,17).
What are the key properties of 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 306.37 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162633197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).