1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione

C14H16N2O3 — CID 53474889

IUPAC1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
SMILESCOc1ccc(CN2C(=O)CC23CCNC3=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-11-4-2-10(3-5-11)9-16-12(17)8-14(16)6-7-15-13(14)18/h2-5H,6-9H2,1H3,(H,15,18)
InChIKeyBQVJNLCAACTBLE-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.69
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione

1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione (PubChem CID 53474889) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
PubChem CID53474889
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
SMILESCOc1ccc(CN2C(=O)CC23CCNC3=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-11-4-2-10(3-5-11)9-16-12(17)8-14(16)6-7-15-13(14)18/h2-5H,6-9H2,1H3,(H,15,18)
InChIKeyBQVJNLCAACTBLE-UHFFFAOYSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione (CID 53474889) is 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione is COc1ccc(CN2C(=O)CC23CCNC3=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione?
The InChIKey is BQVJNLCAACTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-11-4-2-10(3-5-11)9-16-12(17)8-14(16)6-7-15-13(14)18/h2-5H,6-9H2,1H3,(H,15,18).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione?
1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione has a molecular weight of 260.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione is sourced from PubChem (CID 53474889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).