2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

C20H24N4O2 — CID 97450987

IUPAC2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C20H24N4O2/c25-18(15-17-5-2-1-3-6-17)23-11-7-20(8-12-23)16-24(13-14-26-20)19-21-9-4-10-22-19/h1-6,9-10H,7-8,11-16H2
InChIKeyFGUDLNNEMPJCGL-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.92
Rot. Bonds3

About 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 97450987) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID97450987
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)CN(c1ncccn1)CCO2
InChIInChI=1S/C20H24N4O2/c25-18(15-17-5-2-1-3-6-17)23-11-7-20(8-12-23)16-24(13-14-26-20)19-21-9-4-10-22-19/h1-6,9-10H,7-8,11-16H2
InChIKeyFGUDLNNEMPJCGL-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 97450987) is 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is O=C(Cc1ccccc1)N1CCC2(CC1)CN(c1ncccn1)CCO2.
What is the InChIKey of 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is FGUDLNNEMPJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18(15-17-5-2-1-3-6-17)23-11-7-20(8-12-23)16-24(13-14-26-20)19-21-9-4-10-22-19/h1-6,9-10H,7-8,11-16H2.
What are the key properties of 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 352.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 97450987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).