8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H19N3O4 — CID 27421170

IUPAC8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1
InChIInChI=1S/C16H19N3O4/c1-18-14(21)16(17-15(18)22)6-8-19(9-7-16)13(20)11-4-3-5-12(10-11)23-2/h3-5,10H,6-9H2,1-2H3,(H,17,22)
InChIKeyZIZLXTNOELUWSS-UHFFFAOYSA-N
MW317.34 g/mol
LogP0.85
Rot. Bonds2

About 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27421170) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27421170
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1
InChIInChI=1S/C16H19N3O4/c1-18-14(21)16(17-15(18)22)6-8-19(9-7-16)13(20)11-4-3-5-12(10-11)23-2/h3-5,10H,6-9H2,1-2H3,(H,17,22)
InChIKeyZIZLXTNOELUWSS-UHFFFAOYSA-N
XLogP0.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46975893
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085132
3-[(4-fluorophenyl)methyl]-7-(3-methoxybenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 122172188
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
(4S)-8-(3-methoxybenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97197781
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084314
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27421170) is 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1.
What is the InChIKey of 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZIZLXTNOELUWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-18-14(21)16(17-15(18)22)6-8-19(9-7-16)13(20)11-4-3-5-12(10-11)23-2/h3-5,10H,6-9H2,1-2H3,(H,17,22).
What are the key properties of 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 317.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27421170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).