1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one

C16H25N3O3 — CID 110159573

IUPAC1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C16H25N3O3/c20-14-3-2-12-22-16(14)5-9-19(10-6-16)15(21)4-1-8-18-11-7-17-13-18/h7,11,13-14,20H,1-6,8-10,12H2
InChIKeyREGKPXCEKDJVFW-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.20
Rot. Bonds4

About 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one (PubChem CID 110159573) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
PubChem CID110159573
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C16H25N3O3/c20-14-3-2-12-22-16(14)5-9-19(10-6-16)15(21)4-1-8-18-11-7-17-13-18/h7,11,13-14,20H,1-6,8-10,12H2
InChIKeyREGKPXCEKDJVFW-UHFFFAOYSA-N
XLogP1.20
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-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

7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72918461
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150225
7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72918966
(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97146419
8-(4-imidazol-1-ylbutanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863911
1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 110108416
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 110156983
(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 126453764
4-imidazol-1-yl-1-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)butan-1-one
CID 118761204
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125136

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one (CID 110159573) is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one is O=C(CCCn1ccnc1)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one?
The InChIKey is REGKPXCEKDJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-14-3-2-12-22-16(14)5-9-19(10-6-16)15(21)4-1-8-18-11-7-17-13-18/h7,11,13-14,20H,1-6,8-10,12H2.
What are the key properties of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one?
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one has a molecular weight of 307.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 110159573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).