2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate

C16H26N3O4+ — CID 7301471

IUPAC2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccco1)N(C)C1CC[NH+](C)CC1
InChIInChI=1S/C16H25N3O4/c1-18-8-6-13(7-9-18)19(2)16(23-12-11-21-3)17-15(20)14-5-4-10-22-14/h4-5,10,13H,6-9,11-12H2,1-3H3/p+1/b17-16-
InChIKeyGNNNNEDEGHLVQW-MSUUIHNZSA-O
MW324.40 g/mol
LogP0.05
Rot. Bonds5

About 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate

2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate (PubChem CID 7301471) has the molecular formula C16H26N3O4+ and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate
PubChem CID7301471
Molecular FormulaC16H26N3O4+
Molecular Weight324.40 g/mol
Exact Mass324.19
IUPAC Name2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccco1)N(C)C1CC[NH+](C)CC1
InChIInChI=1S/C16H25N3O4/c1-18-8-6-13(7-9-18)19(2)16(23-12-11-21-3)17-15(20)14-5-4-10-22-14/h4-5,10,13H,6-9,11-12H2,1-3H3/p+1/b17-16-
InChIKeyGNNNNEDEGHLVQW-MSUUIHNZSA-O
XLogP0.05
TPSA68.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7301572
2-methoxyethyl N-benzyl-N'-(furan-2-carbonyl)-N-methylcarbamimidate
CID 7296039
2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate
CID 7301876
methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270420
N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 115270100
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylfuran-2-carboxamide
CID 115270397
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
1-(furan-2-yl)-2-[3-methoxypropyl(methyl)amino]ethanone
CID 63008571
N-(2-methoxyethyl)-N-pentan-3-ylfuran-2-carboxamide
CID 60791660
propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7265416
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate?
The IUPAC name of 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate (CID 7301471) is 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate.
What is the SMILES notation for 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate?
The canonical SMILES for 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate is COCCO/C(=N\C(=O)c1ccco1)N(C)C1CC[NH+](C)CC1.
What is the InChIKey of 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate?
The InChIKey is GNNNNEDEGHLVQW-MSUUIHNZSA-O. The full InChI is InChI=1S/C16H25N3O4/c1-18-8-6-13(7-9-18)19(2)16(23-12-11-21-3)17-15(20)14-5-4-10-22-14/h4-5,10,13H,6-9,11-12H2,1-3H3/p+1/b17-16-.
What are the key properties of 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate?
2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate has a molecular weight of 324.40 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N'-(furan-2-carbonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)carbamimidate is sourced from PubChem (CID 7301471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).