1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]

C19H27N3O — CID 10267603

IUPAC1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
SMILESc1ncc(N2CCC3(C2)C2CCN3CC2)cc1OC1CCCC1
InChIInChI=1S/C19H27N3O/c1-2-4-17(3-1)23-18-11-16(12-20-13-18)21-10-7-19(14-21)15-5-8-22(19)9-6-15/h11-13,15,17H,1-10,14H2
InChIKeyUBLGOTQMXWUYFE-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.08
Rot. Bonds3

About 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]

1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] (PubChem CID 10267603) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine].

Molecular Properties

Compound Name1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
PubChem CID10267603
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
SMILESc1ncc(N2CCC3(C2)C2CCN3CC2)cc1OC1CCCC1
InChIInChI=1S/C19H27N3O/c1-2-4-17(3-1)23-18-11-16(12-20-13-18)21-10-7-19(14-21)15-5-8-22(19)9-6-15/h11-13,15,17H,1-10,14H2
InChIKeyUBLGOTQMXWUYFE-UHFFFAOYSA-N
XLogP3.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
The IUPAC name of 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] (CID 10267603) is 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine].
What is the SMILES notation for 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
The canonical SMILES for 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] is c1ncc(N2CCC3(C2)C2CCN3CC2)cc1OC1CCCC1.
What is the InChIKey of 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
The InChIKey is UBLGOTQMXWUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-4-17(3-1)23-18-11-16(12-20-13-18)21-10-7-19(14-21)15-5-8-22(19)9-6-15/h11-13,15,17H,1-10,14H2.
What are the key properties of 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] has a molecular weight of 313.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-cyclopentyloxy-3-pyridinyl)spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] is sourced from PubChem (CID 10267603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).