3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde

C15H21N3O — CID 87478699

IUPAC3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
SMILESO=CN1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C15H21N3O/c19-13-17-9-3-15(4-10-17)5-11-18(12-6-15)14-1-7-16-8-2-14/h1-2,7-8,13H,3-6,9-12H2
InChIKeyFZUYEZWYMVHXAC-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.92
Rot. Bonds2

About 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde

3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde (PubChem CID 87478699) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde.

Molecular Properties

Compound Name3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
PubChem CID87478699
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
SMILESO=CN1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C15H21N3O/c19-13-17-9-3-15(4-10-17)5-11-18(12-6-15)14-1-7-16-8-2-14/h1-2,7-8,13H,3-6,9-12H2
InChIKeyFZUYEZWYMVHXAC-UHFFFAOYSA-N
XLogP1.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde?
The IUPAC name of 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde (CID 87478699) is 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde.
What is the SMILES notation for 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde?
The canonical SMILES for 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde is O=CN1CCC2(CC1)CCN(c1ccncc1)CC2.
What is the InChIKey of 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde?
The InChIKey is FZUYEZWYMVHXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-13-17-9-3-15(4-10-17)5-11-18(12-6-15)14-1-7-16-8-2-14/h1-2,7-8,13H,3-6,9-12H2.
What are the key properties of 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde?
3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde has a molecular weight of 259.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde is sourced from PubChem (CID 87478699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).