2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one

C14H18N2O2 — CID 139370877

IUPAC2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1ccc(CN2CC3(CCC(=O)N3)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-18-12-4-2-11(3-5-12)8-16-9-14(10-16)7-6-13(17)15-14/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyVNLGZVCQZFYMNI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.16
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one

2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 139370877) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID139370877
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCOc1ccc(CN2CC3(CCC(=O)N3)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-18-12-4-2-11(3-5-12)8-16-9-14(10-16)7-6-13(17)15-14/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyVNLGZVCQZFYMNI-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-methoxyphenyl)methyl]-1,5,9-triazaspiro[5.5]undecan-4-one
CID 58245219
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146198755
1-(chloromethyl)-4-methoxybenzene;5,5-dimethylpyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-5,5-dimethylpyrrolidin-2-one
CID 161221305
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
8-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,3-diazaspiro[4.5]decan-8-amine
CID 130228510
2-[[6-[3-[3-[5-[(1S)-1-aminoethyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146206636
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]oxy]acetonitrile
CID 146198764
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 139370877) is 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one is COc1ccc(CN2CC3(CCC(=O)N3)C2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is VNLGZVCQZFYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-12-4-2-11(3-5-12)8-16-9-14(10-16)7-6-13(17)15-14/h2-5H,6-10H2,1H3,(H,15,17).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 246.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 139370877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).