9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane

C18H28N2O — CID 142061203

IUPAC9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane
SMILESCCCOC1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C18H28N2O/c1-2-15-21-17-3-7-18(8-4-17)9-13-20(14-10-18)16-5-11-19-12-6-16/h5-6,11-12,17H,2-4,7-10,13-15H2,1H3
InChIKeyHUMFUVQPLMLCPH-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.04
Rot. Bonds4

About 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane

9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane (PubChem CID 142061203) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane
PubChem CID142061203
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane
SMILESCCCOC1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C18H28N2O/c1-2-15-21-17-3-7-18(8-4-17)9-13-20(14-10-18)16-5-11-19-12-6-16/h5-6,11-12,17H,2-4,7-10,13-15H2,1H3
InChIKeyHUMFUVQPLMLCPH-UHFFFAOYSA-N
XLogP4.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 58101768
[4-(4-propoxypiperidin-1-yl)phenyl]methanamine
CID 28803528
3-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 87478699
2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[3.5]nonane
CID 59505317
N-(3-ethoxypropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166978
1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
CID 59818719
4-[4-(phenoxymethoxy)piperidin-1-yl]pyridine
CID 139888381
ethyl 3-oxo-3-[4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propanoate
CID 59047326
methyl N-cyclopropyl-N-[2-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]oxyethyl]carbamate
CID 143979489
4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
3-(6-chloropyrimidin-4-yl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 59401695

Frequently Asked Questions

What is the IUPAC name of 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane (CID 142061203) is 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane is CCCOC1CCC2(CC1)CCN(c1ccncc1)CC2.
What is the InChIKey of 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane?
The InChIKey is HUMFUVQPLMLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-15-21-17-3-7-18(8-4-17)9-13-20(14-10-18)16-5-11-19-12-6-16/h5-6,11-12,17H,2-4,7-10,13-15H2,1H3.
What are the key properties of 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane?
9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane has a molecular weight of 288.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 142061203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).