5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

C17H25N3O3 — CID 56880047

IUPAC5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC3(CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H25N3O3/c1-12(2)14-18-11-13(15(21)19-14)16(22)20-7-3-17(4-8-20)5-9-23-10-6-17/h11-12H,3-10H2,1-2H3,(H,18,19,21)
InChIKeyYDJBDSIFZHWUBH-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.93
Rot. Bonds2

About 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one

5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56880047) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56880047
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCC3(CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H25N3O3/c1-12(2)14-18-11-13(15(21)19-14)16(22)20-7-3-17(4-8-20)5-9-23-10-6-17/h11-12H,3-10H2,1-2H3,(H,18,19,21)
InChIKeyYDJBDSIFZHWUBH-UHFFFAOYSA-N
XLogP1.93
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 70783575
2-cyclopropyl-5-{[3-ethyl-3-(hydroxymethyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 72871697
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72926350
5-[(3R)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96407756
5-[(3S)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96407757
2-cyclopropyl-5-[(3S)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124182
2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124183

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 56880047) is 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCC3(CCOCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YDJBDSIFZHWUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)14-18-11-13(15(21)19-14)16(22)20-7-3-17(4-8-20)5-9-23-10-6-17/h11-12H,3-10H2,1-2H3,(H,18,19,21).
What are the key properties of 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one?
5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 319.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56880047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).