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

C14H21N3O — CID 43373277

IUPAC4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H21N3O/c1-10-9-11(3-4-13(10)15)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyHLKUOCOIUBQNNR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds2

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

4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 43373277) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID43373277
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H21N3O/c1-10-9-11(3-4-13(10)15)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyHLKUOCOIUBQNNR-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 43373277) is 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide is Cc1cc(C(=O)NC2CCN(C)CC2)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is HLKUOCOIUBQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-9-11(3-4-13(10)15)14(18)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 43373277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).