N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide

C14H17N3O4 — CID 82989801

IUPACN-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(N2CCC(=O)CC2)c1
InChIInChI=1S/C14H17N3O4/c1-2-15-14(19)10-3-4-12(17(20)21)13(9-10)16-7-5-11(18)6-8-16/h3-4,9H,2,5-8H2,1H3,(H,15,19)
InChIKeyVOOOUUJLSNNGGE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.51
Rot. Bonds4

About N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide

N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide (PubChem CID 82989801) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide
PubChem CID82989801
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(N2CCC(=O)CC2)c1
InChIInChI=1S/C14H17N3O4/c1-2-15-14(19)10-3-4-12(17(20)21)13(9-10)16-7-5-11(18)6-8-16/h3-4,9H,2,5-8H2,1H3,(H,15,19)
InChIKeyVOOOUUJLSNNGGE-UHFFFAOYSA-N
XLogP1.51
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.51
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

3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide
CID 82990100
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-ethyl-3-imidazol-1-yl-4-nitrobenzamide
CID 82989026
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
1-(5-fluoro-2-nitrophenyl)piperidin-4-one
CID 62377786
N-ethyl-4-[4-(methylcarbamoyl)-2-nitrophenyl]piperazine-1-carboxamide
CID 133367068
3-(4-ethylazepan-1-yl)-4-nitrobenzoic acid
CID 82768863
3-(3-hydroxyazetidin-1-yl)-N-methyl-4-nitrobenzamide
CID 82988879
N-ethyl-3-[(2-methylcyclopropyl)amino]-4-nitrobenzamide
CID 82989306
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
3-(1,3-dihydroxypropan-2-ylamino)-N-ethyl-4-nitrobenzamide
CID 82988820
3-(3-hydroxy-3-methylazetidin-1-yl)-N-methyl-4-nitrobenzamide
CID 82988947

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide (CID 82989801) is N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide is CCNC(=O)c1ccc([N+](=O)[O-])c(N2CCC(=O)CC2)c1.
What is the InChIKey of N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide?
The InChIKey is VOOOUUJLSNNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-15-14(19)10-3-4-12(17(20)21)13(9-10)16-7-5-11(18)6-8-16/h3-4,9H,2,5-8H2,1H3,(H,15,19).
What are the key properties of N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide?
N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide has a molecular weight of 291.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 82989801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).