cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium

C16H22N3O3+ — CID 9281792

IUPACcyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH+](CN2C(=O)CCNC2=O)C2CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-22-14-6-2-12(3-7-14)10-18(13-4-5-13)11-19-15(20)8-9-17-16(19)21/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,21)/p+1
InChIKeyOURCHRUFTDYSQR-UHFFFAOYSA-O
MW304.37 g/mol
LogP0.14
Rot. Bonds6

About cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium

cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium (PubChem CID 9281792) has the molecular formula C16H22N3O3+ and a molecular weight of 304.37 g/mol. Its IUPAC name is cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium
PubChem CID9281792
Molecular FormulaC16H22N3O3+
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Namecyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH+](CN2C(=O)CCNC2=O)C2CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-22-14-6-2-12(3-7-14)10-18(13-4-5-13)11-19-15(20)8-9-17-16(19)21/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,21)/p+1
InChIKeyOURCHRUFTDYSQR-UHFFFAOYSA-O
XLogP0.14
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium (CID 9281792) is cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH+](CN2C(=O)CCNC2=O)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is OURCHRUFTDYSQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O3/c1-22-14-6-2-12(3-7-14)10-18(13-4-5-13)11-19-15(20)8-9-17-16(19)21/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,21)/p+1.
What are the key properties of cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium?
cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 304.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2,6-dioxo-1,3-diazinan-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 9281792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).