N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

C19H29N3O3 — CID 91646496

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCCC1c2cccn2CCN1CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-2-16-17-4-3-9-21(17)10-11-22(16)14-18(23)20-15-5-7-19(8-6-15)24-12-13-25-19/h3-4,9,15-16H,2,5-8,10-14H2,1H3,(H,20,23)
InChIKeyLAWQHCQGEKJBEM-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.06
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (PubChem CID 91646496) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
PubChem CID91646496
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCCC1c2cccn2CCN1CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-2-16-17-4-3-9-21(17)10-11-22(16)14-18(23)20-15-5-7-19(8-6-15)24-12-13-25-19/h3-4,9,15-16H,2,5-8,10-14H2,1H3,(H,20,23)
InChIKeyLAWQHCQGEKJBEM-UHFFFAOYSA-N
XLogP2.06
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (CID 91646496) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is CCC1c2cccn2CCN1CC(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The InChIKey is LAWQHCQGEKJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-16-17-4-3-9-21(17)10-11-22(16)14-18(23)20-15-5-7-19(8-6-15)24-12-13-25-19/h3-4,9,15-16H,2,5-8,10-14H2,1H3,(H,20,23).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 91646496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).