1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide

C13H15N3O4 — CID 43083193

IUPAC1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc([N+](=O)[O-])cc2C=O)C1
InChIInChI=1S/C13H15N3O4/c14-13(18)9-2-1-5-15(7-9)12-4-3-11(16(19)20)6-10(12)8-17/h3-4,6,8-9H,1-2,5,7H2,(H2,14,18)
InChIKeyAKXARZLINFUFOR-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.11
Rot. Bonds4

About 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide

1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide (PubChem CID 43083193) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide
PubChem CID43083193
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc([N+](=O)[O-])cc2C=O)C1
InChIInChI=1S/C13H15N3O4/c14-13(18)9-2-1-5-15(7-9)12-4-3-11(16(19)20)6-10(12)8-17/h3-4,6,8-9H,1-2,5,7H2,(H2,14,18)
InChIKeyAKXARZLINFUFOR-UHFFFAOYSA-N
XLogP1.11
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
2-(3-methylpiperidin-1-yl)-5-nitrobenzaldehyde
CID 43083204
2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
1-[2-[(carbamoylhydrazinylidene)methyl]-4-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
CID 3289715
(3R)-1-[4-nitro-2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 51984220
1-[4-(1-hydroxyethyl)-2-nitrophenyl]piperidine-3-carboxamide
CID 43505870
1-(2-chloro-5-nitrobenzoyl)piperidine-3-carboxamide
CID 43082274
[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3604814
5-(3-carbamoylpiperidin-1-yl)-2-nitrobenzoic acid
CID 43176699
[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 98005259
(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine
CID 168531238

Frequently Asked Questions

What is the IUPAC name of 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide (CID 43083193) is 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc([N+](=O)[O-])cc2C=O)C1.
What is the InChIKey of 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is AKXARZLINFUFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c14-13(18)9-2-1-5-15(7-9)12-4-3-11(16(19)20)6-10(12)8-17/h3-4,6,8-9H,1-2,5,7H2,(H2,14,18).
What are the key properties of 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide?
1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formyl-4-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43083193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).