3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C14H23N3O3 — CID 106528198

IUPAC3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1CCC1CCNCC1
InChIInChI=1S/C14H23N3O3/c18-12-14(4-9-20-10-5-14)16-13(19)17(12)8-3-11-1-6-15-7-2-11/h11,15H,1-10H2,(H,16,19)
InChIKeyOGCNDFUULOPKRN-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.48
Rot. Bonds3

About 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528198) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528198
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1CCC1CCNCC1
InChIInChI=1S/C14H23N3O3/c18-12-14(4-9-20-10-5-14)16-13(19)17(12)8-3-11-1-6-15-7-2-11/h11,15H,1-10H2,(H,16,19)
InChIKeyOGCNDFUULOPKRN-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528198) is 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCOCC2)C(=O)N1CCC1CCNCC1.
What is the InChIKey of 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OGCNDFUULOPKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-12-14(4-9-20-10-5-14)16-13(19)17(12)8-3-11-1-6-15-7-2-11/h11,15H,1-10H2,(H,16,19).
What are the key properties of 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).