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

C15H21N4O3+ — CID 7159990

IUPACN-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C15H20N4O3/c1-19-9-7-12(8-10-19)17-18-15(21)14(20)16-11-3-5-13(22-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,21)/p+1
InChIKeyWNWRXDYJRSCOKA-UHFFFAOYSA-O
MW305.36 g/mol
LogP-0.59
Rot. Bonds3

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

N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide (PubChem CID 7159990) has the molecular formula C15H21N4O3+ and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
PubChem CID7159990
Molecular FormulaC15H21N4O3+
Molecular Weight305.36 g/mol
Exact Mass305.16
IUPAC NameN-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=C2CC[NH+](C)CC2)cc1
InChIInChI=1S/C15H20N4O3/c1-19-9-7-12(8-10-19)17-18-15(21)14(20)16-11-3-5-13(22-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,21)/p+1
InChIKeyWNWRXDYJRSCOKA-UHFFFAOYSA-O
XLogP-0.59
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.59
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-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7105949
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
[4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51060821
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
1-(4-methoxyphenyl)-3-[(4-methylcyclohexylidene)amino]thiourea
CID 7934003

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide (CID 7159990) is N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide is COc1ccc(NC(=O)C(=O)NN=C2CC[NH+](C)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
The InChIKey is WNWRXDYJRSCOKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O3/c1-19-9-7-12(8-10-19)17-18-15(21)14(20)16-11-3-5-13(22-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,21)/p+1.
What are the key properties of N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide?
N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide has a molecular weight of 305.36 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide is sourced from PubChem (CID 7159990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).