(5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H22N4O3 — CID 95712027

IUPAC(5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@@]2(CNC(=O)O2)C1
InChIInChI=1S/C15H22N4O3/c1-2-12-16-6-9-18(12)8-4-13(20)19-7-3-5-15(11-19)10-17-14(21)22-15/h6,9H,2-5,7-8,10-11H2,1H3,(H,17,21)/t15-/m1/s1
InChIKeyXDOMJRNOCASDMO-OAHLLOKOSA-N
MW306.37 g/mol
LogP0.94
Rot. Bonds4

About (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95712027) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95712027
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@@]2(CNC(=O)O2)C1
InChIInChI=1S/C15H22N4O3/c1-2-12-16-6-9-18(12)8-4-13(20)19-7-3-5-15(11-19)10-17-14(21)22-15/h6,9H,2-5,7-8,10-11H2,1H3,(H,17,21)/t15-/m1/s1
InChIKeyXDOMJRNOCASDMO-OAHLLOKOSA-N
XLogP0.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95712027) is (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCc1nccn1CCC(=O)N1CCC[C@@]2(CNC(=O)O2)C1.
What is the InChIKey of (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XDOMJRNOCASDMO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-2-12-16-6-9-18(12)8-4-13(20)19-7-3-5-15(11-19)10-17-14(21)22-15/h6,9H,2-5,7-8,10-11H2,1H3,(H,17,21)/t15-/m1/s1.
What are the key properties of (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 306.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[3-(2-ethylimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).