(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone

C16H23N3O3 — CID 74240903

IUPAC(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
SMILESCOC1CCCOC12CCN(C(=O)c1cncnc1C)CC2
InChIInChI=1S/C16H23N3O3/c1-12-13(10-17-11-18-12)15(20)19-7-5-16(6-8-19)14(21-2)4-3-9-22-16/h10-11,14H,3-9H2,1-2H3
InChIKeyCHJUXDUSRDAKKG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.59
Rot. Bonds2

About (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone

(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone (PubChem CID 74240903) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
PubChem CID74240903
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
SMILESCOC1CCCOC12CCN(C(=O)c1cncnc1C)CC2
InChIInChI=1S/C16H23N3O3/c1-12-13(10-17-11-18-12)15(20)19-7-5-16(6-8-19)14(21-2)4-3-9-22-16/h10-11,14H,3-9H2,1-2H3
InChIKeyCHJUXDUSRDAKKG-UHFFFAOYSA-N
XLogP1.59
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745
(1-ethyl-5-methylpyrazol-4-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 74239484
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 124969063
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97198788
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97201836
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186589
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186590
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone (CID 74240903) is (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone is COC1CCCOC12CCN(C(=O)c1cncnc1C)CC2.
What is the InChIKey of (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is CHJUXDUSRDAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-13(10-17-11-18-12)15(20)19-7-5-16(6-8-19)14(21-2)4-3-9-22-16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone?
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 74240903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).