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

C18H21N3O — CID 119828017

IUPAC4-amino-N-(2-piperidin-1-ylphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O/c19-15-10-8-14(9-11-15)18(22)20-16-6-2-3-7-17(16)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13,19H2,(H,20,22)
InChIKeyKQMQWJCHPFQGBA-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.51
Rot. Bonds3

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

4-amino-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 119828017) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-amino-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID119828017
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-amino-N-(2-piperidin-1-ylphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O/c19-15-10-8-14(9-11-15)18(22)20-16-6-2-3-7-17(16)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13,19H2,(H,20,22)
InChIKeyKQMQWJCHPFQGBA-UHFFFAOYSA-N
XLogP3.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.51
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

N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557741
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-amino-N-(2-piperidin-1-ylphenyl)benzamide (CID 119828017) is 4-amino-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(2-piperidin-1-ylphenyl)benzamide is Nc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-amino-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is KQMQWJCHPFQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-15-10-8-14(9-11-15)18(22)20-16-6-2-3-7-17(16)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13,19H2,(H,20,22).
What are the key properties of 4-amino-N-(2-piperidin-1-ylphenyl)benzamide?
4-amino-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 295.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 119828017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).