N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide

C14H18BrN4O2+ — CID 7105949

IUPACN-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESC[NH+]1CCC(=NNC(=O)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN4O2/c1-19-8-6-12(7-9-19)17-18-14(21)13(20)16-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H,16,20)(H,18,21)/p+1
InChIKeyLHZKHSUQVLEUMX-UHFFFAOYSA-O
MW354.23 g/mol
LogP0.17
Rot. Bonds2

About N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide

N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide (PubChem CID 7105949) has the molecular formula C14H18BrN4O2+ and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
PubChem CID7105949
Molecular FormulaC14H18BrN4O2+
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESC[NH+]1CCC(=NNC(=O)C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrN4O2/c1-19-8-6-12(7-9-19)17-18-14(21)13(20)16-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H,16,20)(H,18,21)/p+1
InChIKeyLHZKHSUQVLEUMX-UHFFFAOYSA-O
XLogP0.17
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7159990
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]-N-(pyridin-2-ylmethyl)oxamide
CID 7103785
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050
N-(4-bromophenyl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135554311
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
CID 6146387
[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6002745
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762
(2E)-2-amino-N-(4-bromophenyl)-2-hydroxyiminoacetamide
CID 53275070

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide (CID 7105949) is N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide is C[NH+]1CCC(=NNC(=O)C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The InChIKey is LHZKHSUQVLEUMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17BrN4O2/c1-19-8-6-12(7-9-19)17-18-14(21)13(20)16-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H,16,20)(H,18,21)/p+1.
What are the key properties of N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide has a molecular weight of 354.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide is sourced from PubChem (CID 7105949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).