N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide

C16H24N4O3 — CID 118742880

IUPACN,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
SMILESCN(C)C(=O)COC1COC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H24N4O3/c1-19(2)15(21)12-22-13-9-16(23-11-13)3-7-20(8-4-16)14-10-17-5-6-18-14/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3
InChIKeySTUBMHIZAZMQRY-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.71
Rot. Bonds4

About N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide

N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide (PubChem CID 118742880) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
PubChem CID118742880
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
SMILESCN(C)C(=O)COC1COC2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C16H24N4O3/c1-19(2)15(21)12-22-13-9-16(23-11-13)3-7-20(8-4-16)14-10-17-5-6-18-14/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3
InChIKeySTUBMHIZAZMQRY-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide (CID 118742880) is N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide is CN(C)C(=O)COC1COC2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide?
The InChIKey is STUBMHIZAZMQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19(2)15(21)12-22-13-9-16(23-11-13)3-7-20(8-4-16)14-10-17-5-6-18-14/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide?
N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide is sourced from PubChem (CID 118742880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).