4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide

C14H20N4O3 — CID 62540889

IUPAC4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H20N4O3/c1-16-7-3-4-11(9-16)17(2)14(19)10-5-6-12(15)13(8-10)18(20)21/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyLHCHQCJUFMMNAL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.34
Rot. Bonds3

About 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide

4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide (PubChem CID 62540889) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide
PubChem CID62540889
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H20N4O3/c1-16-7-3-4-11(9-16)17(2)14(19)10-5-6-12(15)13(8-10)18(20)21/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyLHCHQCJUFMMNAL-UHFFFAOYSA-N
XLogP1.34
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
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

5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 62547833
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62547513
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
N-methyl-4-[methyl-[(3S)-1-methylpiperidin-3-yl]amino]-3-nitrobenzamide
CID 95776951
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542
N-cyclobutyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 115649333
2-ethylsulfanyl-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-5-nitrobenzamide
CID 97330083
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
3-amino-N-methyl-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682848
4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide
CID 62159538
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide (CID 62540889) is 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide is CN1CCCC(N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide?
The InChIKey is LHCHQCJUFMMNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-16-7-3-4-11(9-16)17(2)14(19)10-5-6-12(15)13(8-10)18(20)21/h5-6,8,11H,3-4,7,9,15H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide?
4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 62540889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).