1-benzoylpiperidine-4-carboxamide

C13H16N2O2 — CID 875417

IUPAC1-benzoylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H16N2O2/c14-12(16)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,16)
InChIKeyTYIAGTXPGBMCMS-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.02
Rot. Bonds2

About 1-benzoylpiperidine-4-carboxamide

1-benzoylpiperidine-4-carboxamide (PubChem CID 875417) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-benzoylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoylpiperidine-4-carboxamide
PubChem CID875417
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-benzoylpiperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H16N2O2/c14-12(16)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,16)
InChIKeyTYIAGTXPGBMCMS-UHFFFAOYSA-N
XLogP1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoylpiperidine-4-carboxamide?
The IUPAC name of 1-benzoylpiperidine-4-carboxamide (CID 875417) is 1-benzoylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzoylpiperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoylpiperidine-4-carboxamide?
The InChIKey is TYIAGTXPGBMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-12(16)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,16).
What are the key properties of 1-benzoylpiperidine-4-carboxamide?
1-benzoylpiperidine-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylpiperidine-4-carboxamide is sourced from PubChem (CID 875417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).