1-(2,4-difluorobenzoyl)piperidine-3-carboxamide

C13H14F2N2O2 — CID 53015058

IUPAC1-(2,4-difluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H14F2N2O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7H2,(H2,16,18)
InChIKeyFAXZJAQPFMMUNG-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.30
Rot. Bonds2

About 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide

1-(2,4-difluorobenzoyl)piperidine-3-carboxamide (PubChem CID 53015058) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)piperidine-3-carboxamide
PubChem CID53015058
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2,4-difluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H14F2N2O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7H2,(H2,16,18)
InChIKeyFAXZJAQPFMMUNG-UHFFFAOYSA-N
XLogP1.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide (CID 53015058) is 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is FAXZJAQPFMMUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-9-3-4-10(11(15)6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7H2,(H2,16,18).
What are the key properties of 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide?
1-(2,4-difluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 53015058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).