[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

C17H25N3O2 — CID 97493563

IUPAC[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCOCCN1CCCC12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C17H25N3O2/c1-22-14-13-20-10-2-5-17(20)6-11-19(12-7-17)16(21)15-3-8-18-9-4-15/h3-4,8-9H,2,5-7,10-14H2,1H3
InChIKeyZEPHMNZZZCYZNV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.80
Rot. Bonds4

About [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone

[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (PubChem CID 97493563) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
PubChem CID97493563
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
SMILESCOCCN1CCCC12CCN(C(=O)c1ccncc1)CC2
InChIInChI=1S/C17H25N3O2/c1-22-14-13-20-10-2-5-17(20)6-11-19(12-7-17)16(21)15-3-8-18-9-4-15/h3-4,8-9H,2,5-7,10-14H2,1H3
InChIKeyZEPHMNZZZCYZNV-UHFFFAOYSA-N
XLogP1.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396880
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone
CID 131687388
[(5R)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-(1,2-oxazol-5-yl)methanone
CID 97473242
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
1-(2-methoxyethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396877
[2-(hydroxymethyl)-2-(2-methoxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 86771534
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-3-yl)methanone
CID 131687181
3-ethyl-13-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134074528
(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97491878

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone (CID 97493563) is [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is COCCN1CCCC12CCN(C(=O)c1ccncc1)CC2.
What is the InChIKey of [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
The InChIKey is ZEPHMNZZZCYZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-14-13-20-10-2-5-17(20)6-11-19(12-7-17)16(21)15-3-8-18-9-4-15/h3-4,8-9H,2,5-7,10-14H2,1H3.
What are the key properties of [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone?
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 97493563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).