N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide

C13H19N4O3+ — CID 7159946

IUPACN-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESC[NH+]1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C13H18N4O3/c1-17-6-4-10(5-7-17)15-16-13(19)12(18)14-9-11-3-2-8-20-11/h2-3,8H,4-7,9H2,1H3,(H,14,18)(H,16,19)/p+1
InChIKeyMFILDGHHXUSJEP-UHFFFAOYSA-O
MW279.32 g/mol
LogP-1.32
Rot. Bonds3

About N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide

N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide (PubChem CID 7159946) has the molecular formula C13H19N4O3+ and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
PubChem CID7159946
Molecular FormulaC13H19N4O3+
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC NameN-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESC[NH+]1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C13H18N4O3/c1-17-6-4-10(5-7-17)15-16-13(19)12(18)14-9-11-3-2-8-20-11/h2-3,8H,4-7,9H2,1H3,(H,14,18)(H,16,19)/p+1
InChIKeyMFILDGHHXUSJEP-UHFFFAOYSA-O
XLogP-1.32
TPSA88.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 9352884
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
CID 75405456
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N'-[(Z)-cyclohexylmethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 6113564
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
N-(furan-2-ylmethyl)acetamide
CID 2394850
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980
N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9028674
N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575936
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide (CID 7159946) is N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide is C[NH+]1CCC(=NNC(=O)C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The InChIKey is MFILDGHHXUSJEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N4O3/c1-17-6-4-10(5-7-17)15-16-13(19)12(18)14-9-11-3-2-8-20-11/h2-3,8H,4-7,9H2,1H3,(H,14,18)(H,16,19)/p+1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide has a molecular weight of 279.32 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide is sourced from PubChem (CID 7159946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).