morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C18H26N4O3 — CID 98776825

IUPACmorpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(N1CCOCC1)N1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C18H26N4O3/c23-17(21-9-12-24-13-10-21)20-7-4-18(5-8-20)15-22(11-14-25-18)16-3-1-2-6-19-16/h1-3,6H,4-5,7-15H2
InChIKeyVTJYWLWIUSFLOB-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.21
Rot. Bonds1

About morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 98776825) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID98776825
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Namemorpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(N1CCOCC1)N1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C18H26N4O3/c23-17(21-9-12-24-13-10-21)20-7-4-18(5-8-20)15-22(11-14-25-18)16-3-1-2-6-19-16/h1-3,6H,4-5,7-15H2
InChIKeyVTJYWLWIUSFLOB-UHFFFAOYSA-N
XLogP1.21
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 98776825) is morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is O=C(N1CCOCC1)N1CCC2(CC1)CN(c1ccccn1)CCO2.
What is the InChIKey of morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is VTJYWLWIUSFLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(21-9-12-24-13-10-21)20-7-4-18(5-8-20)15-22(11-14-25-18)16-3-1-2-6-19-16/h1-3,6H,4-5,7-15H2.
What are the key properties of morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 98776825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).