3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide

C14H20N4O3 — CID 82990100

IUPAC3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N)CC2)c1
InChIInChI=1S/C14H20N4O3/c1-2-16-14(19)10-3-4-12(18(20)21)13(9-10)17-7-5-11(15)6-8-17/h3-4,9,11H,2,5-8,15H2,1H3,(H,16,19)
InChIKeyASOQZVVJMXYOSZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.27
Rot. Bonds4

About 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide

3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide (PubChem CID 82990100) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide
PubChem CID82990100
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N)CC2)c1
InChIInChI=1S/C14H20N4O3/c1-2-16-14(19)10-3-4-12(18(20)21)13(9-10)17-7-5-11(15)6-8-17/h3-4,9,11H,2,5-8,15H2,1H3,(H,16,19)
InChIKeyASOQZVVJMXYOSZ-UHFFFAOYSA-N
XLogP1.27
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
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

N-ethyl-4-nitro-3-(4-oxopiperidin-1-yl)benzamide
CID 82989801
1-(5-methyl-2-nitrophenyl)piperidin-4-amine
CID 71063718
3-(3-aminopiperidin-1-yl)-N-methyl-4-nitrobenzamide
CID 82988740
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-nitrobenzamide
CID 82993268
3-(4-ethylazepan-1-yl)-4-nitrobenzoic acid
CID 82768863
N-ethyl-3-imidazol-1-yl-4-nitrobenzamide
CID 82989026
N-butyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4805638
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
3-[3-(aminomethyl)pyrrolidin-1-yl]-4-nitrobenzamide
CID 82994983
4-[(2-aminocyclopropyl)amino]-N-ethyl-3-nitrobenzamide
CID 82990452
3-(3-ethylpiperidin-1-yl)-4-nitrobenzoic acid
CID 82784571

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide (CID 82990100) is 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide is CCNC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N)CC2)c1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide?
The InChIKey is ASOQZVVJMXYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-16-14(19)10-3-4-12(18(20)21)13(9-10)17-7-5-11(15)6-8-17/h3-4,9,11H,2,5-8,15H2,1H3,(H,16,19).
What are the key properties of 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide?
3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-N-ethyl-4-nitrobenzamide is sourced from PubChem (CID 82990100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).