2-amino-N-piperidin-3-ylbenzamide

C12H17N3O — CID 70159342

IUPAC2-amino-N-piperidin-3-ylbenzamide
SMILESNc1ccccc1C(=O)NC1CCCNC1
InChIInChI=1S/C12H17N3O/c13-11-6-2-1-5-10(11)12(16)15-9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8,13H2,(H,15,16)
InChIKeyZKNIQGADEUMANN-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds2

About 2-amino-N-piperidin-3-ylbenzamide

2-amino-N-piperidin-3-ylbenzamide (PubChem CID 70159342) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-piperidin-3-ylbenzamide
PubChem CID70159342
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-N-piperidin-3-ylbenzamide
SMILESNc1ccccc1C(=O)NC1CCCNC1
InChIInChI=1S/C12H17N3O/c13-11-6-2-1-5-10(11)12(16)15-9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8,13H2,(H,15,16)
InChIKeyZKNIQGADEUMANN-UHFFFAOYSA-N
XLogP0.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
N-piperidin-3-ylbenzamide
CID 22017045
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
N-[(3R)-piperidin-3-yl]-2-(1,2,4-triazol-4-yl)benzamide
CID 74233718
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-piperidin-3-ylbenzamide?
The IUPAC name of 2-amino-N-piperidin-3-ylbenzamide (CID 70159342) is 2-amino-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 2-amino-N-piperidin-3-ylbenzamide?
The canonical SMILES for 2-amino-N-piperidin-3-ylbenzamide is Nc1ccccc1C(=O)NC1CCCNC1.
What is the InChIKey of 2-amino-N-piperidin-3-ylbenzamide?
The InChIKey is ZKNIQGADEUMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-6-2-1-5-10(11)12(16)15-9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8,13H2,(H,15,16).
What are the key properties of 2-amino-N-piperidin-3-ylbenzamide?
2-amino-N-piperidin-3-ylbenzamide has a molecular weight of 219.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 70159342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).