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

C23H29N5O3 — CID 26144977

IUPAC1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C23H29N5O3/c1-31-16-4-13-28-22(30)27(18-20-5-2-3-10-25-20)21(29)23(28)8-14-26(15-9-23)17-19-6-11-24-12-7-19/h2-3,5-7,10-12H,4,8-9,13-18H2,1H3
InChIKeyFBCABQBPIBSRPG-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.31
Rot. Bonds8

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

1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26144977) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26144977
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccncc1)CC2
InChIInChI=1S/C23H29N5O3/c1-31-16-4-13-28-22(30)27(18-20-5-2-3-10-25-20)21(29)23(28)8-14-26(15-9-23)17-19-6-11-24-12-7-19/h2-3,5-7,10-12H,4,8-9,13-18H2,1H3
InChIKeyFBCABQBPIBSRPG-UHFFFAOYSA-N
XLogP2.31
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-[(4-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213795
1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221411
8-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224071
8-[(2S)-1-hydroxypropan-2-yl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229646
1-(3-methoxypropyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230801
1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140687
3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142104
3-benzyl-1-(3-methoxypropyl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213764
1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762
8-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225397
1-benzyl-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140755
3-benzyl-8-[(5-chloro-2-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133467

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26144977) is 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccncc1)CC2.
What is the InChIKey of 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FBCABQBPIBSRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-31-16-4-13-28-22(30)27(18-20-5-2-3-10-25-20)21(29)23(28)8-14-26(15-9-23)17-19-6-11-24-12-7-19/h2-3,5-7,10-12H,4,8-9,13-18H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 423.52 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26144977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).