(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C15H25N5O2 — CID 97133083

IUPAC(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(Cc3nncn3C)C2)C1=O
InChIInChI=1S/C15H25N5O2/c1-18-12-16-17-13(18)10-19-7-5-15(11-19)4-3-6-20(14(15)21)8-9-22-2/h12H,3-11H2,1-2H3/t15-/m1/s1
InChIKeyAIMSUIMDLLLSOO-OAHLLOKOSA-N
MW307.40 g/mol
LogP0.28
Rot. Bonds5

About (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97133083) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97133083
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(Cc3nncn3C)C2)C1=O
InChIInChI=1S/C15H25N5O2/c1-18-12-16-17-13(18)10-19-7-5-15(11-19)4-3-6-20(14(15)21)8-9-22-2/h12H,3-11H2,1-2H3/t15-/m1/s1
InChIKeyAIMSUIMDLLLSOO-OAHLLOKOSA-N
XLogP0.28
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677
(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 136818945
(5R)-2-[(2,5-difluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42377378
(5R)-7-(2-methoxyethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97109798
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
(5S)-2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119601
2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861946
2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895101
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126426622
2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45252934

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97133083) is (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(Cc3nncn3C)C2)C1=O.
What is the InChIKey of (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AIMSUIMDLLLSOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-18-12-16-17-13(18)10-19-7-5-15(11-19)4-3-6-20(14(15)21)8-9-22-2/h12H,3-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 307.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97133083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).