pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C19H27N3O2 — CID 91919090

IUPACpyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccncc1)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C19H27N3O2/c23-18(16-3-8-20-9-4-16)22-12-6-19(7-13-22)15-17(5-14-24-19)21-10-1-2-11-21/h3-4,8-9,17H,1-2,5-7,10-15H2
InChIKeyWNLIDMCTWUYEOY-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.33
Rot. Bonds2

About pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91919090) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91919090
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namepyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccncc1)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C19H27N3O2/c23-18(16-3-8-20-9-4-16)22-12-6-19(7-13-22)15-17(5-14-24-19)21-10-1-2-11-21/h3-4,8-9,17H,1-2,5-7,10-15H2
InChIKeyWNLIDMCTWUYEOY-UHFFFAOYSA-N
XLogP2.33
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91919090) is pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(c1ccncc1)N1CCC2(CC1)CC(N1CCCC1)CCO2.
What is the InChIKey of pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is WNLIDMCTWUYEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(16-3-8-20-9-4-16)22-12-6-19(7-13-22)15-17(5-14-24-19)21-10-1-2-11-21/h3-4,8-9,17H,1-2,5-7,10-15H2.
What are the key properties of pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91919090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).