ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate

C15H19N3O5 — CID 2943790

IUPACethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H19N3O5/c1-2-23-14(19)11-7-9-17(10-8-11)15(20)16-12-3-5-13(6-4-12)18(21)22/h3-6,11H,2,7-10H2,1H3,(H,16,20)
InChIKeyPQSKDKUOXYVXRE-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.40
Rot. Bonds4

About ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 2943790) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID2943790
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Nameethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H19N3O5/c1-2-23-14(19)11-7-9-17(10-8-11)15(20)16-12-3-5-13(6-4-12)18(21)22/h3-6,11H,2,7-10H2,1H3,(H,16,20)
InChIKeyPQSKDKUOXYVXRE-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylate
CID 46513780
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
CID 70076614
ethyl 1-[(4-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108886635
ethyl 1-[2-(4-nitroanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108513134
4-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 60958056
[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 30016751
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
CID 17230843
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
(1R,7R)-7-methyl-N-(4-nitrophenyl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 124844078
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate (CID 2943790) is ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is PQSKDKUOXYVXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-2-23-14(19)11-7-9-17(10-8-11)15(20)16-12-3-5-13(6-4-12)18(21)22/h3-6,11H,2,7-10H2,1H3,(H,16,20).
What are the key properties of ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2943790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).