2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide

C22H26N2O2 — CID 1437875

IUPAC2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-16-12-17(2)14-20(13-16)23-21(25)15-24-10-8-19(9-11-24)22(26)18-6-4-3-5-7-18/h3-7,12-14,19H,8-11,15H2,1-2H3,(H,23,25)
InChIKeyDCUPORNJERTEOV-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide

2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 1437875) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID1437875
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-16-12-17(2)14-20(13-16)23-21(25)15-24-10-8-19(9-11-24)22(26)18-6-4-3-5-7-18/h3-7,12-14,19H,8-11,15H2,1-2H3,(H,23,25)
InChIKeyDCUPORNJERTEOV-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide (CID 1437875) is 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is DCUPORNJERTEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-12-17(2)14-20(13-16)23-21(25)15-24-10-8-19(9-11-24)22(26)18-6-4-3-5-7-18/h3-7,12-14,19H,8-11,15H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 1437875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).