1,3,8-triazaspiro[4.5]decane-1-carboxamide

C8H16N4O — CID 68734673

IUPAC1,3,8-triazaspiro[4.5]decane-1-carboxamide
SMILESNC(=O)N1CNCC12CCNCC2
InChIInChI=1S/C8H16N4O/c9-7(13)12-6-11-5-8(12)1-3-10-4-2-8/h10-11H,1-6H2,(H2,9,13)
InChIKeyQXWPVNZIVHRLHG-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.95
Rot. Bonds

About 1,3,8-triazaspiro[4.5]decane-1-carboxamide

1,3,8-triazaspiro[4.5]decane-1-carboxamide (PubChem CID 68734673) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,3,8-triazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound Name1,3,8-triazaspiro[4.5]decane-1-carboxamide
PubChem CID68734673
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1,3,8-triazaspiro[4.5]decane-1-carboxamide
SMILESNC(=O)N1CNCC12CCNCC2
InChIInChI=1S/C8H16N4O/c9-7(13)12-6-11-5-8(12)1-3-10-4-2-8/h10-11H,1-6H2,(H2,9,13)
InChIKeyQXWPVNZIVHRLHG-UHFFFAOYSA-N
XLogP-0.95
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of 1,3,8-triazaspiro[4.5]decane-1-carboxamide (CID 68734673) is 1,3,8-triazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for 1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for 1,3,8-triazaspiro[4.5]decane-1-carboxamide is NC(=O)N1CNCC12CCNCC2.
What is the InChIKey of 1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The InChIKey is QXWPVNZIVHRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c9-7(13)12-6-11-5-8(12)1-3-10-4-2-8/h10-11H,1-6H2,(H2,9,13).
What are the key properties of 1,3,8-triazaspiro[4.5]decane-1-carboxamide?
1,3,8-triazaspiro[4.5]decane-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.95, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-triazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 68734673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).