(2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone

C14H20N4O3 — CID 119491320

IUPAC(2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1
InChIInChI=1S/C14H20N4O3/c1-9-6-11(13(15)12(7-9)18(20)21)14(19)17-5-3-4-10(8-17)16-2/h6-7,10,16H,3-5,8,15H2,1-2H3
InChIKeyGJYQVNDHDYKPNN-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.31
Rot. Bonds3

About (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone

(2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119491320) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119491320
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1
InChIInChI=1S/C14H20N4O3/c1-9-6-11(13(15)12(7-9)18(20)21)14(19)17-5-3-4-10(8-17)16-2/h6-7,10,16H,3-5,8,15H2,1-2H3
InChIKeyGJYQVNDHDYKPNN-UHFFFAOYSA-N
XLogP1.31
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(2-amino-5-methyl-3-nitrophenyl)methanone
CID 119595193
(2-amino-5-methyl-3-nitrophenyl)-[(3S)-3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 129398386
(2-amino-5-methyl-3-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 111778742
(2-bromo-5-fluoro-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492338
1-(2-amino-5-methyl-3-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119349839
4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]-5-nitrobenzenesulfonamide;hydrochloride
CID 119491421
[3-(methylamino)piperidin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 62534652
(2-fluoro-4-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535777
(2-amino-5-methyl-3-nitrophenyl)-[(4S)-4-methoxy-4-methylazepan-1-yl]methanone
CID 124888559
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(3-chloropiperidin-1-yl)-(5-methyl-2-nitrophenyl)methanone
CID 65460845
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119491320) is (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1.
What is the InChIKey of (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is GJYQVNDHDYKPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-6-11(13(15)12(7-9)18(20)21)14(19)17-5-3-4-10(8-17)16-2/h6-7,10,16H,3-5,8,15H2,1-2H3.
What are the key properties of (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 292.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119491320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).