2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide

C19H23N3O — CID 110451835

IUPAC2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
SMILESNCc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H23N3O/c20-14-15-6-2-3-7-18(15)19(23)21-16-8-10-17(11-9-16)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14,20H2,(H,21,23)
InChIKeyZHOXZSFHINORDZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.39
Rot. Bonds4

About 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide

2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 110451835) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID110451835
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide
SMILESNCc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H23N3O/c20-14-15-6-2-3-7-18(15)19(23)21-16-8-10-17(11-9-16)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14,20H2,(H,21,23)
InChIKeyZHOXZSFHINORDZ-UHFFFAOYSA-N
XLogP3.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 8894383
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
N-(4-pyrrolidin-1-ylphenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18205229
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide (CID 110451835) is 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide is NCc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is ZHOXZSFHINORDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-14-15-6-2-3-7-18(15)19(23)21-16-8-10-17(11-9-16)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14,20H2,(H,21,23).
What are the key properties of 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide?
2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110451835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).