1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H28N4O3 — CID 26147418

IUPAC1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C23H28N4O3/c1-3-27-22(29)26(16-18-7-6-9-20(15-18)30-2)21(28)23(27)10-13-25(14-11-23)17-19-8-4-5-12-24-19/h4-9,12,15H,3,10-11,13-14,16-17H2,1-2H3
InChIKeyMHMFJODYLLPLSL-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.91
Rot. Bonds6

About 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26147418) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26147418
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C23H28N4O3/c1-3-27-22(29)26(16-18-7-6-9-20(15-18)30-2)21(28)23(27)10-13-25(14-11-23)17-19-8-4-5-12-24-19/h4-9,12,15H,3,10-11,13-14,16-17H2,1-2H3
InChIKeyMHMFJODYLLPLSL-UHFFFAOYSA-N
XLogP2.91
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762
8-(2,2-diphenylethyl)-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225580
8-[(2,4-difluorophenyl)methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26135256
8-[(2R)-butan-2-yl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231274
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230042
8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134543
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143379
3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142104
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
3-[(3-methoxyphenyl)methyl]-8-(naphthalen-1-ylmethyl)-1-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 15951231
8-benzyl-3-[(3-methoxyphenyl)methyl]-1-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169836

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26147418) is 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccn1)CC2.
What is the InChIKey of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MHMFJODYLLPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-27-22(29)26(16-18-7-6-9-20(15-18)30-2)21(28)23(27)10-13-25(14-11-23)17-19-8-4-5-12-24-19/h4-9,12,15H,3,10-11,13-14,16-17H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 408.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methoxyphenyl)methyl]-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26147418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).