2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C24H28N6O2 — CID 175641781

IUPAC2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C2)C1=O
InChIInChI=1S/C24H28N6O2/c1-32-16-15-28-13-11-24(22(28)31)12-14-29(18-24)23-25-26-27-30(23)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3
InChIKeyFGEOACBYKIBKOY-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.46
Rot. Bonds7

About 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641781) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175641781
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C2)C1=O
InChIInChI=1S/C24H28N6O2/c1-32-16-15-28-13-11-24(22(28)31)12-14-29(18-24)23-25-26-27-30(23)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3
InChIKeyFGEOACBYKIBKOY-UHFFFAOYSA-N
XLogP2.46
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502457
2-[(2S)-1-methyl-4-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]piperazin-2-yl]ethanol
CID 95889006
(5R)-2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97193495
7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501882
(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204731
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
(5R)-2-[2-(benzotriazol-2-yl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95722632
(3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 162633729
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175641781) is 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CCC2(CCN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is FGEOACBYKIBKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-32-16-15-28-13-11-24(22(28)31)12-14-29(18-24)23-25-26-27-30(23)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 432.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).