(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

C14H19N3O3 — CID 62930359

IUPAC(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1
InChIInChI=1S/C14H19N3O3/c1-14(2)5-7-16(8-6-14)13(18)11-9-10(17(19)20)3-4-12(11)15/h3-4,9H,5-8,15H2,1-2H3
InChIKeyYKSZHHSURMMJCO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.44
Rot. Bonds2

About (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone

(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (PubChem CID 62930359) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
PubChem CID62930359
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1
InChIInChI=1S/C14H19N3O3/c1-14(2)5-7-16(8-6-14)13(18)11-9-10(17(19)20)3-4-12(11)15/h3-4,9H,5-8,15H2,1-2H3
InChIKeyYKSZHHSURMMJCO-UHFFFAOYSA-N
XLogP2.44
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-5-nitrophenyl)-(4,4-dimethylpiperidin-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

(2,3-dichloro-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107188786
(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
(2-amino-5-nitrophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538514
(2-amino-5-nitrophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104890954
(2-bromo-5-nitrophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304434
(2-amino-5-nitrophenyl)-[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methanone
CID 99829104
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 80701880
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(2-amino-5-nitrophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968890
(2-amino-5-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155670
(2-fluoro-5-nitrophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404180
4-hydroxy-1-(2-methyl-4-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119252038

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone (CID 62930359) is (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1.
What is the InChIKey of (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is YKSZHHSURMMJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)5-7-16(8-6-14)13(18)11-9-10(17(19)20)3-4-12(11)15/h3-4,9H,5-8,15H2,1-2H3.
What are the key properties of (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone?
(2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62930359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).