9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H28N4O3 — CID 72847147

IUPAC9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)C(C)n1ccnc1)CC2
InChIInChI=1S/C18H28N4O3/c1-15(22-10-7-19-14-22)17(24)20-8-5-18(6-9-20)4-3-16(23)21(13-18)11-12-25-2/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3
InChIKeyITXDGVSKFFXHAP-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.32
Rot. Bonds5

About 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72847147) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72847147
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)C(C)n1ccnc1)CC2
InChIInChI=1S/C18H28N4O3/c1-15(22-10-7-19-14-22)17(24)20-8-5-18(6-9-20)4-3-16(23)21(13-18)11-12-25-2/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3
InChIKeyITXDGVSKFFXHAP-UHFFFAOYSA-N
XLogP1.32
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
2-[4-(1H-imidazol-1-yl)butanoyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72873945
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
2-[3-(Dimethylamino)pyrazin-2-YL]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72905062
2-isopropyl-9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72940511
2-[3-(1H-imidazol-1-yl)propyl]-9-(3-morpholinylacetyl)-2,9-diazaspiro[5.5]undecan-3-one dihydrochloride
CID 72837357
2-allyl-9-[3-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72858082

Frequently Asked Questions

What is the IUPAC name of 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72847147) is 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)C(C)n1ccnc1)CC2.
What is the InChIKey of 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ITXDGVSKFFXHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-15(22-10-7-19-14-22)17(24)20-8-5-18(6-9-20)4-3-16(23)21(13-18)11-12-25-2/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.45 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-imidazol-1-ylpropanoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72847147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).