(5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

C17H23N3O2 — CID 141111283

IUPAC(5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCC2(CC2)CN1O)N1CCC(c2ccncc2)C1
InChIInChI=1S/C17H23N3O2/c21-16(15-1-5-17(6-7-17)12-20(15)22)19-10-4-14(11-19)13-2-8-18-9-3-13/h2-3,8-9,14-15,22H,1,4-7,10-12H2
InChIKeyMULLJFFXEXUUOC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds2

About (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

(5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 141111283) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID141111283
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCC2(CC2)CN1O)N1CCC(c2ccncc2)C1
InChIInChI=1S/C17H23N3O2/c21-16(15-1-5-17(6-7-17)12-20(15)22)19-10-4-14(11-19)13-2-8-18-9-3-13/h2-3,8-9,14-15,22H,1,4-7,10-12H2
InChIKeyMULLJFFXEXUUOC-UHFFFAOYSA-N
XLogP2.03
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 141111283) is (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(C1CCC2(CC2)CN1O)N1CCC(c2ccncc2)C1.
What is the InChIKey of (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is MULLJFFXEXUUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(15-1-5-17(6-7-17)12-20(15)22)19-10-4-14(11-19)13-2-8-18-9-3-13/h2-3,8-9,14-15,22H,1,4-7,10-12H2.
What are the key properties of (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
(5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-5-azaspiro[2.5]octan-6-yl)-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 141111283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).