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

C18H19ClN2O — CID 675060

IUPAC4-chloro-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/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,1,4-5,12-13H2,(H,20,22)
InChIKeyBOSXHOFYMXHVPF-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.58
Rot. Bonds3

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

4-chloro-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 675060) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID675060
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name4-chloro-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/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,1,4-5,12-13H2,(H,20,22)
InChIKeyBOSXHOFYMXHVPF-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
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CID 25023852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide (CID 675060) is 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is BOSXHOFYMXHVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/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,1,4-5,12-13H2,(H,20,22).
What are the key properties of 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide?
4-chloro-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 314.82 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 675060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).