(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone

C14H19N3O3 — CID 115678709

IUPAC(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1
InChIInChI=1S/C14H19N3O3/c1-2-10-6-8-16(9-7-10)14(18)11-4-3-5-12(13(11)15)17(19)20/h3-5,10H,2,6-9,15H2,1H3
InChIKeyHNOGMBIRRMWZAY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.44
Rot. Bonds3

About (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone

(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 115678709) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID115678709
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1
InChIInChI=1S/C14H19N3O3/c1-2-10-6-8-16(9-7-10)14(18)11-4-3-5-12(13(11)15)17(19)20/h3-5,10H,2,6-9,15H2,1H3
InChIKeyHNOGMBIRRMWZAY-UHFFFAOYSA-N
XLogP2.44
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-nitrophenyl)-(4-ethylazepan-1-yl)methanone
CID 115679111
(2-amino-3-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 111778737
[3-(aminomethyl)pyrrolidin-1-yl]-(2-amino-3-nitrophenyl)methanone
CID 119484634
1-(2-amino-3-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119166080
(2-amino-3-fluorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 62662648
(2-amino-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 115678605
(2-amino-3-nitrophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115696688
2-amino-N-(4-ethylcyclohexyl)-3-nitrobenzamide
CID 115678620
(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
CID 61053031
(2-amino-3-nitrophenyl)-(3-methylpiperazin-1-yl)methanone
CID 119577850
(2-amino-3-nitrophenyl)-(1,4-diazepan-1-yl)methanone
CID 119415708
(2-amino-3-nitrophenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119415707

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone (CID 115678709) is (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1.
What is the InChIKey of (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is HNOGMBIRRMWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-10-6-8-16(9-7-10)14(18)11-4-3-5-12(13(11)15)17(19)20/h3-5,10H,2,6-9,15H2,1H3.
What are the key properties of (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone?
(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115678709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).