9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane

C24H31N3 — CID 59818719

IUPAC9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESc1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)ccn1
InChIInChI=1S/C24H31N3/c1-2-22(3-1)26-16-10-24(11-17-26)12-18-27(19-13-24)23-6-4-20(5-7-23)21-8-14-25-15-9-21/h4-9,14-15,22H,1-3,10-13,16-19H2
InChIKeyYVLYOBCWBOFKSU-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.98
Rot. Bonds3

About 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane

9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 59818719) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID59818719
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESc1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)ccn1
InChIInChI=1S/C24H31N3/c1-2-22(3-1)26-16-10-24(11-17-26)12-18-27(19-13-24)23-6-4-20(5-7-23)21-8-14-25-15-9-21/h4-9,14-15,22H,1-3,10-13,16-19H2
InChIKeyYVLYOBCWBOFKSU-UHFFFAOYSA-N
XLogP4.98
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane (CID 59818719) is 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane is c1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)ccn1.
What is the InChIKey of 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is YVLYOBCWBOFKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-2-22(3-1)26-16-10-24(11-17-26)12-18-27(19-13-24)23-6-4-20(5-7-23)21-8-14-25-15-9-21/h4-9,14-15,22H,1-3,10-13,16-19H2.
What are the key properties of 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane?
9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 361.53 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 59818719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).