N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide

C14H19N3O4 — CID 114423073

IUPACN-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C)CCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-9-5-6-15-12(7-9)14(18)16-11-4-3-10(21-2)8-13(11)17(19)20/h3-4,8-9,12,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyJIWXVJPCDSVSKZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds4

About N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide

N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114423073) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide
PubChem CID114423073
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(C)CCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-9-5-6-15-12(7-9)14(18)16-11-4-3-10(21-2)8-13(11)17(19)20/h3-4,8-9,12,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyJIWXVJPCDSVSKZ-UHFFFAOYSA-N
XLogP1.93
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
(1R,2R,4S,5R)-N-(4-methoxy-2-nitrophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98186911
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 108804459
2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
CID 64823152
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8930758
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
CID 23255692
1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223356
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 104900585
N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 82017375
1-(4-chlorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 16925178

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide (CID 114423073) is N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide is COc1ccc(NC(=O)C2CC(C)CCN2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is JIWXVJPCDSVSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-5-6-15-12(7-9)14(18)16-11-4-3-10(21-2)8-13(11)17(19)20/h3-4,8-9,12,15H,5-7H2,1-2H3,(H,16,18).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide?
N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).