1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone

C20H24N4O3 — CID 109285978

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone
SMILESCCc1ccc(Nc2cnc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1
InChIInChI=1S/C20H24N4O3/c1-2-15-3-5-16(6-4-15)23-18-14-21-17(13-22-18)19(25)24-9-7-20(8-10-24)26-11-12-27-20/h3-6,13-14H,2,7-12H2,1H3,(H,22,23)
InChIKeyQFUDGJLNMHQHRL-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.76
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone (PubChem CID 109285978) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone
PubChem CID109285978
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone
SMILESCCc1ccc(Nc2cnc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1
InChIInChI=1S/C20H24N4O3/c1-2-15-3-5-16(6-4-15)23-18-14-21-17(13-22-18)19(25)24-9-7-20(8-10-24)26-11-12-27-20/h3-6,13-14H,2,7-12H2,1H3,(H,22,23)
InChIKeyQFUDGJLNMHQHRL-UHFFFAOYSA-N
XLogP2.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone
CID 109286005
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylanilino)pyrimidin-5-yl]methanone
CID 109261590
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(2-ethylanilino)-2-pyridinyl]methanone
CID 109193829
[5-(4-chloroanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193844
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109160080
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 44999558
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109190085
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
[6-(4-tert-butylanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160057
[5-(2,6-dimethylanilino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193827

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone (CID 109285978) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone is CCc1ccc(Nc2cnc(C(=O)N3CCC4(CC3)OCCO4)cn2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone?
The InChIKey is QFUDGJLNMHQHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-15-3-5-16(6-4-15)23-18-14-21-17(13-22-18)19(25)24-9-7-20(8-10-24)26-11-12-27-20/h3-6,13-14H,2,7-12H2,1H3,(H,22,23).
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-ethylanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109285978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).