3-methyl-2-phenyl-4-piperidin-1-ylbenzamide

C19H22N2O — CID 151957511

IUPAC3-methyl-2-phenyl-4-piperidin-1-ylbenzamide
SMILESCc1c(N2CCCCC2)ccc(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C19H22N2O/c1-14-17(21-12-6-3-7-13-21)11-10-16(19(20)22)18(14)15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H2,20,22)
InChIKeyTXYHXYGDWQYBAD-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.75
Rot. Bonds3

About 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide

3-methyl-2-phenyl-4-piperidin-1-ylbenzamide (PubChem CID 151957511) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-methyl-2-phenyl-4-piperidin-1-ylbenzamide
PubChem CID151957511
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-methyl-2-phenyl-4-piperidin-1-ylbenzamide
SMILESCc1c(N2CCCCC2)ccc(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C19H22N2O/c1-14-17(21-12-6-3-7-13-21)11-10-16(19(20)22)18(14)15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H2,20,22)
InChIKeyTXYHXYGDWQYBAD-UHFFFAOYSA-N
XLogP3.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide (CID 151957511) is 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide is Cc1c(N2CCCCC2)ccc(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide?
The InChIKey is TXYHXYGDWQYBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-17(21-12-6-3-7-13-21)11-10-16(19(20)22)18(14)15-8-4-2-5-9-15/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H2,20,22).
What are the key properties of 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide?
3-methyl-2-phenyl-4-piperidin-1-ylbenzamide has a molecular weight of 294.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 151957511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).