1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide

C15H19N3O5 — CID 108804459

IUPAC1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c1-10(19)17-7-5-11(6-8-17)15(20)16-13-4-3-12(23-2)9-14(13)18(21)22/h3-4,9,11H,5-8H2,1-2H3,(H,16,20)
InChIKeyQETYIPBRTMWOLT-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.80
Rot. Bonds4

About 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide

1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 108804459) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
PubChem CID108804459
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O5/c1-10(19)17-7-5-11(6-8-17)15(20)16-13-4-3-12(23-2)9-14(13)18(21)22/h3-4,9,11H,5-8H2,1-2H3,(H,16,20)
InChIKeyQETYIPBRTMWOLT-UHFFFAOYSA-N
XLogP1.80
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223356
1-(furan-2-carbonyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 9374722
1-(3-fluorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223630
1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17152952
(1R,2R,4S,5R)-N-(4-methoxy-2-nitrophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98186911
2-(azepan-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46630887
2-amino-N-(4-methoxy-2-nitrophenyl)cyclopentane-1-carboxamide
CID 64823152
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351512
1-(2-ethylphenyl)-N-(4-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120329
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide (CID 108804459) is 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is QETYIPBRTMWOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-10(19)17-7-5-11(6-8-17)15(20)16-13-4-3-12(23-2)9-14(13)18(21)22/h3-4,9,11H,5-8H2,1-2H3,(H,16,20).
What are the key properties of 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 108804459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).