4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H24N4O3 — CID 126450488

IUPAC4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1[C@H](C)C(=O)N1CCC2(CC1)CN(C)C(=O)CO2
InChIInChI=1S/C16H24N4O3/c1-12(20-9-6-17-13(20)2)15(22)19-7-4-16(5-8-19)11-18(3)14(21)10-23-16/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyPQOHEWZWUALTAA-GFCCVEGCSA-N
MW320.39 g/mol
LogP0.60
Rot. Bonds2

About 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 126450488) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID126450488
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1[C@H](C)C(=O)N1CCC2(CC1)CN(C)C(=O)CO2
InChIInChI=1S/C16H24N4O3/c1-12(20-9-6-17-13(20)2)15(22)19-7-4-16(5-8-19)11-18(3)14(21)10-23-16/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12-/m1/s1
InChIKeyPQOHEWZWUALTAA-GFCCVEGCSA-N
XLogP0.60
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093
2-(3-methoxypropyl)-9-[2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72934308
1'-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97149961
1-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 95870233
(2R)-1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 95871198
4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77089326
(2R)-2-(2-methylimidazol-1-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 126441847
9-[4-(2-methylimidazol-1-yl)butanoyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999145
(2R)-2-(2-methylimidazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 126445384
(2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 97269525
N-[2-(3,4-dimethylphenoxy)ethyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 122571263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 126450488) is 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1[C@H](C)C(=O)N1CCC2(CC1)CN(C)C(=O)CO2.
What is the InChIKey of 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PQOHEWZWUALTAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12(20-9-6-17-13(20)2)15(22)19-7-4-16(5-8-19)11-18(3)14(21)10-23-16/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 320.39 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 126450488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).