1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H32N4O3 — CID 45164853

IUPAC1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C1CCc3ccccc3C1)CC2
InChIInChI=1S/C26H32N4O3/c1-33-16-15-30-25(32)29(19-20-5-4-12-27-18-20)24(31)26(30)10-13-28(14-11-26)23-9-8-21-6-2-3-7-22(21)17-23/h2-7,12,18,23H,8-11,13-17,19H2,1H3
InChIKeyOFAPYGMOXIPSRS-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 45164853) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID45164853
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C1CCc3ccccc3C1)CC2
InChIInChI=1S/C26H32N4O3/c1-33-16-15-30-25(32)29(19-20-5-4-12-27-18-20)24(31)26(30)10-13-28(14-11-26)23-9-8-21-6-2-3-7-22(21)17-23/h2-7,12,18,23H,8-11,13-17,19H2,1H3
InChIKeyOFAPYGMOXIPSRS-UHFFFAOYSA-N
XLogP2.88
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.88
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-3-(3-pyridin-3-ylpropyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45160672
1-(2-methoxyethyl)-8-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141284
8-[(2S)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26220241
1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26215638
8-(1-benzothiophen-2-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136375
8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233429
1-(2-methoxyethyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146893
8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230537
2-[2,4-dioxo-1-(2-phenylethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 45164830
3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-8-(thian-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26138453
ethyl 4-[1-(3-methylbutyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]piperidine-1-carboxylate
CID 26136372
8-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137235

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 45164853) is 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(C1CCc3ccccc3C1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OFAPYGMOXIPSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-33-16-15-30-25(32)29(19-20-5-4-12-27-18-20)24(31)26(30)10-13-28(14-11-26)23-9-8-21-6-2-3-7-22(21)17-23/h2-7,12,18,23H,8-11,13-17,19H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 448.57 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 45164853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).