N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide

C15H18N4O6 — CID 108513058

IUPACN-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC(=O)C1CCNCC1
InChIInChI=1S/C15H18N4O6/c1-25-12-8-10(19(23)24)2-3-11(12)17-14(21)15(22)18-13(20)9-4-6-16-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLNXAYBICBDFPBT-UHFFFAOYSA-N
MW350.33 g/mol
LogP0.18
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide

N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide (PubChem CID 108513058) has the molecular formula C15H18N4O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide
PubChem CID108513058
Molecular FormulaC15H18N4O6
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC NameN-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC(=O)C1CCNCC1
InChIInChI=1S/C15H18N4O6/c1-25-12-8-10(19(23)24)2-3-11(12)17-14(21)15(22)18-13(20)9-4-6-16-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLNXAYBICBDFPBT-UHFFFAOYSA-N
XLogP0.18
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
2-methoxy-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79708090
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N'-(3,5-dimethylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513035
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
N-(4-tert-butylphenyl)-N'-(2-methoxy-4-nitrophenyl)oxamide
CID 108513014
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N'-butan-2-yl-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108505403
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide (CID 108513058) is N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC(=O)C1CCNCC1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide?
The InChIKey is LNXAYBICBDFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O6/c1-25-12-8-10(19(23)24)2-3-11(12)17-14(21)15(22)18-13(20)9-4-6-16-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide?
N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide has a molecular weight of 350.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108513058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).