1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C16H19N3O3 — CID 53144428

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ncccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19N3O3/c20-14(10-12-11-18-15-13(12)2-1-5-17-15)19-6-3-16(4-7-19)21-8-9-22-16/h1-2,5,11H,3-4,6-10H2,(H,17,18)
InChIKeyQTZAIGNPWKLBFI-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.47
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 53144428) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID53144428
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ncccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C16H19N3O3/c20-14(10-12-11-18-15-13(12)2-1-5-17-15)19-6-3-16(4-7-19)21-8-9-22-16/h1-2,5,11H,3-4,6-10H2,(H,17,18)
InChIKeyQTZAIGNPWKLBFI-UHFFFAOYSA-N
XLogP1.47
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 166239499
3-methyl-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529395
1-(1,2-oxazolidin-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75504186
2-[4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 120527820
1-(3-morpholin-4-ylsulfonylazetidin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 75474099
2-(5-chloro-1H-indol-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110413074
2-[acetyl-[(4R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129342694
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methyl-1H-indol-3-yl)ethanone
CID 110853564
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 154703711
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;hydrochloride
CID 119663151
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108949990

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 53144428) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is O=C(Cc1c[nH]c2ncccc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is QTZAIGNPWKLBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(10-12-11-18-15-13(12)2-1-5-17-15)19-6-3-16(4-7-19)21-8-9-22-16/h1-2,5,11H,3-4,6-10H2,(H,17,18).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 301.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 53144428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).