3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide

C14H15N3O4 — CID 76944811

IUPAC3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1[N+](=O)[O-])NC1CCC(=O)NC1
InChIInChI=1S/C14H15N3O4/c18-13-8-6-11(9-15-13)16-14(19)7-5-10-3-1-2-4-12(10)17(20)21/h1-5,7,11H,6,8-9H2,(H,15,18)(H,16,19)
InChIKeyHGBJGGPKWIBOSV-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.00
Rot. Bonds4

About 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide

3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (PubChem CID 76944811) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
PubChem CID76944811
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1[N+](=O)[O-])NC1CCC(=O)NC1
InChIInChI=1S/C14H15N3O4/c18-13-8-6-11(9-15-13)16-14(19)7-5-10-3-1-2-4-12(10)17(20)21/h1-5,7,11H,6,8-9H2,(H,15,18)(H,16,19)
InChIKeyHGBJGGPKWIBOSV-UHFFFAOYSA-N
XLogP1.00
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

(E)-N-(4-hydroxycyclohexyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43389284
3-(2-nitrophenyl)-N-(2-oxothiolan-3-yl)prop-2-enamide
CID 4100443
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653
3-(2-bromo-4-methylphenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976877
(E)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 110903478
3-(3,5-dichlorophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76976955
3-(5-bromothiophen-2-yl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944857
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616996
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The IUPAC name of 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide (CID 76944811) is 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The canonical SMILES for 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is O=C(C=Cc1ccccc1[N+](=O)[O-])NC1CCC(=O)NC1.
What is the InChIKey of 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
The InChIKey is HGBJGGPKWIBOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-13-8-6-11(9-15-13)16-14(19)7-5-10-3-1-2-4-12(10)17(20)21/h1-5,7,11H,6,8-9H2,(H,15,18)(H,16,19).
What are the key properties of 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide?
3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide has a molecular weight of 289.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 76944811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).