2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C17H24N4O3 — CID 98896660

IUPAC2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ccnnc3)CC2)C1=O
InChIInChI=1S/C17H24N4O3/c1-24-12-11-21-8-2-4-17(16(21)23)5-9-20(10-6-17)15(22)14-3-7-18-19-13-14/h3,7,13H,2,4-6,8-12H2,1H3
InChIKeyKQPDEKMLSIJALB-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.97
Rot. Bonds4

About 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 98896660) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID98896660
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ccnnc3)CC2)C1=O
InChIInChI=1S/C17H24N4O3/c1-24-12-11-21-8-2-4-17(16(21)23)5-9-20(10-6-17)15(22)14-3-7-18-19-13-14/h3,7,13H,2,4-6,8-12H2,1H3
InChIKeyKQPDEKMLSIJALB-UHFFFAOYSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391
(5S)-2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 124820106
9-(2,5-difluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131690837
2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131690823
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895274
2-(2-methoxyethyl)-9-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131691720
9-(2-methoxyacetyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131652556

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 98896660) is 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is COCCN1CCCC2(CCN(C(=O)c3ccnnc3)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is KQPDEKMLSIJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-12-11-21-8-2-4-17(16(21)23)5-9-20(10-6-17)15(22)14-3-7-18-19-13-14/h3,7,13H,2,4-6,8-12H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 332.40 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 98896660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).