2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide

C15H22ClN3O — CID 63659855

IUPAC2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1c(N)cccc1Cl)N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-11(19-8-3-2-4-9-19)10-18-15(20)14-12(16)6-5-7-13(14)17/h5-7,11H,2-4,8-10,17H2,1H3,(H,18,20)
InChIKeyCLGZHOLOCMNKQT-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide

2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 63659855) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID63659855
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1c(N)cccc1Cl)N1CCCCC1
InChIInChI=1S/C15H22ClN3O/c1-11(19-8-3-2-4-9-19)10-18-15(20)14-12(16)6-5-7-13(14)17/h5-7,11H,2-4,8-10,17H2,1H3,(H,18,20)
InChIKeyCLGZHOLOCMNKQT-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.53
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

2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61140232

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide (CID 63659855) is 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide is CC(CNC(=O)c1c(N)cccc1Cl)N1CCCCC1.
What is the InChIKey of 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is CLGZHOLOCMNKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11(19-8-3-2-4-9-19)10-18-15(20)14-12(16)6-5-7-13(14)17/h5-7,11H,2-4,8-10,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide?
2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 63659855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).