3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H23N5O3 — CID 70739649

IUPAC3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCN(C(=O)c3cnccn3)CC2)OC1=O
InChIInChI=1S/C16H23N5O3/c1-19(2)9-10-21-12-16(24-15(21)23)3-7-20(8-4-16)14(22)13-11-17-5-6-18-13/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyUMYKKBRUOKBDQG-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.47
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70739649) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70739649
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCN(C(=O)c3cnccn3)CC2)OC1=O
InChIInChI=1S/C16H23N5O3/c1-19(2)9-10-21-12-16(24-15(21)23)3-7-20(8-4-16)14(22)13-11-17-5-6-18-13/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyUMYKKBRUOKBDQG-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70739649) is 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(C)CCN1CC2(CCN(C(=O)c3cnccn3)CC2)OC1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UMYKKBRUOKBDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-19(2)9-10-21-12-16(24-15(21)23)3-7-20(8-4-16)14(22)13-11-17-5-6-18-13/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 333.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-(pyrazine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70739649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).