N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide

C25H24N2O2 — CID 108549483

IUPACN-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c28-24(21-13-11-20(12-14-21)19-7-3-1-4-8-19)26-23-15-17-27(18-16-23)25(29)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,26,28)
InChIKeyDTOHDSUFUZTYST-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.39
Rot. Bonds4

About N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide

N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide (PubChem CID 108549483) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
PubChem CID108549483
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c28-24(21-13-11-20(12-14-21)19-7-3-1-4-8-19)26-23-15-17-27(18-16-23)25(29)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,26,28)
InChIKeyDTOHDSUFUZTYST-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide (CID 108549483) is N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide is O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide?
The InChIKey is DTOHDSUFUZTYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24(21-13-11-20(12-14-21)19-7-3-1-4-8-19)26-23-15-17-27(18-16-23)25(29)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,26,28).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide?
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide is sourced from PubChem (CID 108549483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).