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

C15H21N3O3 — CID 83045573

IUPAC(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-5-12-6-3-4-9-17(12)15(19)11-7-8-13(16)14(10-11)18(20)21/h7-8,10,12H,2-6,9,16H2,1H3
InChIKeyNGTMNWWTUIUVPM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.97
Rot. Bonds4

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

(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83045573) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83045573
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-5-12-6-3-4-9-17(12)15(19)11-7-8-13(16)14(10-11)18(20)21/h7-8,10,12H,2-6,9,16H2,1H3
InChIKeyNGTMNWWTUIUVPM-UHFFFAOYSA-N
XLogP2.97
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.97
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 (4-amino-3-nitrophenyl)-(2-propylpiperidin-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

(4-amino-3-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 62153181
(4-amino-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 47102376
(3-amino-4-nitrophenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637891
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(5-chloro-2-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053352
[2-(chloromethyl)azepan-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 116639063
(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 62681247
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(4-bromo-3-nitrophenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634438
(4-amino-3-nitrophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60635046
[2-(bromomethyl)piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 80662603

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone (CID 83045573) is (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1.
What is the InChIKey of (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is NGTMNWWTUIUVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-5-12-6-3-4-9-17(12)15(19)11-7-8-13(16)14(10-11)18(20)21/h7-8,10,12H,2-6,9,16H2,1H3.
What are the key properties of (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone?
(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83045573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).