3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione

C14H24N4O2 — CID 59373658

IUPAC3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC2(CCCN(C3CCNCC3)C2)C1=O
InChIInChI=1S/C14H24N4O2/c1-2-18-12(19)14(16-13(18)20)6-3-9-17(10-14)11-4-7-15-8-5-11/h11,15H,2-10H2,1H3,(H,16,20)
InChIKeyNKGJZISBHFAQRT-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.14
Rot. Bonds2

About 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione

3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 59373658) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID59373658
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC2(CCCN(C3CCNCC3)C2)C1=O
InChIInChI=1S/C14H24N4O2/c1-2-18-12(19)14(16-13(18)20)6-3-9-17(10-14)11-4-7-15-8-5-11/h11,15H,2-10H2,1H3,(H,16,20)
InChIKeyNKGJZISBHFAQRT-UHFFFAOYSA-N
XLogP0.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.14
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-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 59373658) is 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)NC2(CCCN(C3CCNCC3)C2)C1=O.
What is the InChIKey of 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is NKGJZISBHFAQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-18-12(19)14(16-13(18)20)6-3-9-17(10-14)11-4-7-15-8-5-11/h11,15H,2-10H2,1H3,(H,16,20).
What are the key properties of 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione?
3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 59373658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).