(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C23H29N3O2 — CID 97383983

IUPAC(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C23H29N3O2/c1-28-16-15-26-22(27)21(19-7-3-2-4-8-19)17-23(26)10-13-25(14-11-23)18-20-9-5-6-12-24-20/h2-9,12,21H,10-11,13-18H2,1H3/t21-/m1/s1
InChIKeyFWZLQGSZHRLVKU-OAQYLSRUSA-N
MW379.50 g/mol
LogP3.08
Rot. Bonds6

About (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97383983) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97383983
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C23H29N3O2/c1-28-16-15-26-22(27)21(19-7-3-2-4-8-19)17-23(26)10-13-25(14-11-23)18-20-9-5-6-12-24-20/h2-9,12,21H,10-11,13-18H2,1H3/t21-/m1/s1
InChIKeyFWZLQGSZHRLVKU-OAQYLSRUSA-N
XLogP3.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
(3S)-1-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383971
(3R)-1-(2-methoxyethyl)-8-[(4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383981
1-(2-methoxyethyl)-8-[(5-methylthiophen-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131643872
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383969
(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97144161
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383991
(3S)-8-(furan-2-carbonyl)-1-(2-methoxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97383988
(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97391603
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
(3aR,6aS)-2-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97452990
1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155846398

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97383983) is (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccccn1)CC2.
What is the InChIKey of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FWZLQGSZHRLVKU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-16-15-26-22(27)21(19-7-3-2-4-8-19)17-23(26)10-13-25(14-11-23)18-20-9-5-6-12-24-20/h2-9,12,21H,10-11,13-18H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97383983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).