9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H18N4O4 — CID 131686408

IUPAC9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cnc(C(=O)N2CCC3(CC2)CNC(=O)CO3)nc1
InChIInChI=1S/C14H18N4O4/c1-21-10-6-15-12(16-7-10)13(20)18-4-2-14(3-5-18)9-17-11(19)8-22-14/h6-7H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyAVBHWWIDJRGHJU-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.39
Rot. Bonds2

About 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131686408) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131686408
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cnc(C(=O)N2CCC3(CC2)CNC(=O)CO3)nc1
InChIInChI=1S/C14H18N4O4/c1-21-10-6-15-12(16-7-10)13(20)18-4-2-14(3-5-18)9-17-11(19)8-22-14/h6-7H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyAVBHWWIDJRGHJU-UHFFFAOYSA-N
XLogP-0.39
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(5-methoxy-1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162634902
9-[4-(difluoromethoxy)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162631631
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638587
9-(1,3-benzothiazole-7-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162637356
2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139598609
9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686775
(5-methoxypyrimidin-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155870777
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357

Frequently Asked Questions

What is the IUPAC name of 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131686408) is 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1cnc(C(=O)N2CCC3(CC2)CNC(=O)CO3)nc1.
What is the InChIKey of 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AVBHWWIDJRGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-21-10-6-15-12(16-7-10)13(20)18-4-2-14(3-5-18)9-17-11(19)8-22-14/h6-7H,2-5,8-9H2,1H3,(H,17,19).
What are the key properties of 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 306.32 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131686408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).