oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

C19H27N3O2 — CID 118744337

IUPACoxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCC2(CCN(c3cccnc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c23-18(17-5-2-13-24-17)22-10-3-6-19(15-22)7-11-21(12-8-19)16-4-1-9-20-14-16/h1,4,9,14,17H,2-3,5-8,10-13,15H2
InChIKeyPLZUZUWZJVOBLF-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.47
Rot. Bonds2

About oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone

oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 118744337) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID118744337
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nameoxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCC2(CCN(c3cccnc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c23-18(17-5-2-13-24-17)22-10-3-6-19(15-22)7-11-21(12-8-19)16-4-1-9-20-14-16/h1,4,9,14,17H,2-3,5-8,10-13,15H2
InChIKeyPLZUZUWZJVOBLF-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone (CID 118744337) is oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is O=C(C1CCCO1)N1CCCC2(CCN(c3cccnc3)CC2)C1.
What is the InChIKey of oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is PLZUZUWZJVOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(17-5-2-13-24-17)22-10-3-6-19(15-22)7-11-21(12-8-19)16-4-1-9-20-14-16/h1,4,9,14,17H,2-3,5-8,10-13,15H2.
What are the key properties of oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone?
oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 329.44 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(9-pyridin-3-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 118744337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).