1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C17H25N3O2 — CID 134078829

IUPAC1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C17H25N3O2/c1-22-12-11-20-16(21)3-7-17(20)6-2-10-19(14-17)13-15-4-8-18-9-5-15/h4-5,8-9H,2-3,6-7,10-14H2,1H3
InChIKeyYHYWWLBPICFKPC-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 134078829) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID134078829
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C17H25N3O2/c1-22-12-11-20-16(21)3-7-17(20)6-2-10-19(14-17)13-15-4-8-18-9-5-15/h4-5,8-9H,2-3,6-7,10-14H2,1H3
InChIKeyYHYWWLBPICFKPC-UHFFFAOYSA-N
XLogP1.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134073846
1-(2-methylsulfonylethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682387
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
9-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742380
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645106
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131661831
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97369146

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 134078829) is 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is COCCN1C(=O)CCC12CCCN(Cc1ccncc1)C2.
What is the InChIKey of 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YHYWWLBPICFKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-12-11-20-16(21)3-7-17(20)6-2-10-19(14-17)13-15-4-8-18-9-5-15/h4-5,8-9H,2-3,6-7,10-14H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134078829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).