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

C18H19ClN2O — CID 53250925

IUPAC4-chloro-N-(4-piperidin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CCNCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-15(2-6-16)18(22)21-17-7-3-13(4-8-17)14-9-11-20-12-10-14/h1-8,14,20H,9-12H2,(H,21,22)
InChIKeyIGKXIXVYXAOSAC-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.06
Rot. Bonds3

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

4-chloro-N-(4-piperidin-4-ylphenyl)benzamide (PubChem CID 53250925) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-piperidin-4-ylphenyl)benzamide
PubChem CID53250925
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name4-chloro-N-(4-piperidin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CCNCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-5-1-15(2-6-16)18(22)21-17-7-3-13(4-8-17)14-9-11-20-12-10-14/h1-8,14,20H,9-12H2,(H,21,22)
InChIKeyIGKXIXVYXAOSAC-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide (CID 53250925) is 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide is O=C(Nc1ccc(C2CCNCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide?
The InChIKey is IGKXIXVYXAOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-5-1-15(2-6-16)18(22)21-17-7-3-13(4-8-17)14-9-11-20-12-10-14/h1-8,14,20H,9-12H2,(H,21,22).
What are the key properties of 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide?
4-chloro-N-(4-piperidin-4-ylphenyl)benzamide has a molecular weight of 314.82 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-piperidin-4-ylphenyl)benzamide is sourced from PubChem (CID 53250925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).