1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione

C16H23N3O5 — CID 72840023

IUPAC1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C16H23N3O5/c20-12-2-1-11-24-16(12)5-9-18(10-6-16)14(22)4-8-19-7-3-13(21)17-15(19)23/h3,7,12,20H,1-2,4-6,8-11H2,(H,17,21,23)
InChIKeyGJSHJNYIMWMVOF-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.54
Rot. Bonds3

About 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione

1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 72840023) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID72840023
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C16H23N3O5/c20-12-2-1-11-24-16(12)5-9-18(10-6-16)14(22)4-8-19-7-3-13(21)17-15(19)23/h3,7,12,20H,1-2,4-6,8-11H2,(H,17,21,23)
InChIKeyGJSHJNYIMWMVOF-UHFFFAOYSA-N
XLogP-0.54
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione (CID 72840023) is 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is GJSHJNYIMWMVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c20-12-2-1-11-24-16(12)5-9-18(10-6-16)14(22)4-8-19-7-3-13(21)17-15(19)23/h3,7,12,20H,1-2,4-6,8-11H2,(H,17,21,23).
What are the key properties of 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72840023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).