3,4-difluoro-5-piperidin-4-ylbenzamide

C12H14F2N2O — CID 172648867

IUPAC3,4-difluoro-5-piperidin-4-ylbenzamide
SMILESNC(=O)c1cc(F)c(F)c(C2CCNCC2)c1
InChIInChI=1S/C12H14F2N2O/c13-10-6-8(12(15)17)5-9(11(10)14)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H2,15,17)
InChIKeySRBRDXABJYMSHY-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.53
Rot. Bonds2

About 3,4-difluoro-5-piperidin-4-ylbenzamide

3,4-difluoro-5-piperidin-4-ylbenzamide (PubChem CID 172648867) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3,4-difluoro-5-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-5-piperidin-4-ylbenzamide
PubChem CID172648867
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3,4-difluoro-5-piperidin-4-ylbenzamide
SMILESNC(=O)c1cc(F)c(F)c(C2CCNCC2)c1
InChIInChI=1S/C12H14F2N2O/c13-10-6-8(12(15)17)5-9(11(10)14)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H2,15,17)
InChIKeySRBRDXABJYMSHY-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4-dihydro-5-methyl-1(2H)-isoquinolinone
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N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
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N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
4-fluoro-N-phenethylbenzamide
CID 745660
2-Fluoro-N-(2-phenylethyl)benzamide
CID 579557
N-(2-aminoethyl)-4-fluorobenzamide
CID 5203773
3-((S)-1-Propyl-piperidin-3-yl)-benzamide
CID 10467118
N-(2-aminoethyl)-2-fluorobenzamide
CID 14977545
N-propyl-3-(trifluoromethyl)benzenecarboxamide
CID 2767296

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-piperidin-4-ylbenzamide?
The IUPAC name of 3,4-difluoro-5-piperidin-4-ylbenzamide (CID 172648867) is 3,4-difluoro-5-piperidin-4-ylbenzamide.
What is the SMILES notation for 3,4-difluoro-5-piperidin-4-ylbenzamide?
The canonical SMILES for 3,4-difluoro-5-piperidin-4-ylbenzamide is NC(=O)c1cc(F)c(F)c(C2CCNCC2)c1.
What is the InChIKey of 3,4-difluoro-5-piperidin-4-ylbenzamide?
The InChIKey is SRBRDXABJYMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-10-6-8(12(15)17)5-9(11(10)14)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H2,15,17).
What are the key properties of 3,4-difluoro-5-piperidin-4-ylbenzamide?
3,4-difluoro-5-piperidin-4-ylbenzamide has a molecular weight of 240.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-piperidin-4-ylbenzamide is sourced from PubChem (CID 172648867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).