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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Related Compounds

3-tert-butyl-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 58101768
2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
CID 59505317
3-(6-chloropyrimidin-4-yl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 59401695
4-pyrrolidin-1-ylpyridine
CID 158456628
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane
CID 142061203
[3,5-bis(trifluoromethyl)phenyl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3233715
4-(aminomethyl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 18536528
4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
4-(aminomethyl)-1-pyridin-4-ylpiperidin-4-amine;trihydrochloride
CID 68970925
9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
CID 59818719
4-(benzimidazol-1-yl)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56894969

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).