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

HCID 43373280

Notes Reactions

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Basic information

CAS: 50534-11-7
Standard SMILES: CN1CCC(NC(=O)c2ccc(N)cc2)CC1
InChIKey: VAFDKVXEVKJBAY-UHFFFAOYSA-N
Molecular formula: C13H19N3O
Average molar mass: 233.31 g/mol
Monoisotopic mass: 233.15281224

Names & identifiers

Preferred name: 4-amino-N-(1-methylpiperidin-4-yl)benzamide
IUPAC: 4-amino-N-(1-methylpiperidin-4-yl)benzamide

Names & synonyms

50534-11-74-amino-N-(1-methylpiperidin-4-yl)benzamide4-amino-n-(1-methyl-4-piperidyl)benzamideBenzamide, 4-amino-N-(1-methyl-4-piperidinyl)-SCHEMBL1202785VAFDKVXEVKJBAY-UHFFFAOYSA-NDTXSID001262126AKOS005827103DB-2952044-Amino-N-(1-methyl-4-piperidinyl)benzamide4-amino-N-(1-methyl-piperidin-4-yl)-benzamide

Database identifiers

CAS: 50534-11-7
PubChem CID: 43373280
DTXSID: DTXSID001262126

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 253

Related reactions

13 records

New reaction record

HRID 111170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 168127As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 187053As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 311848As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 699054As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 838422As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1676558As reactantuspto-grants-2011_08

HRID 1676669As reactantuspto-grants-2011_08

Compound notes

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