5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide

C14H19FN2O — CID 55228435

IUPAC5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)C1CCCNC1
InChIInChI=1S/C14H19FN2O/c1-10-5-6-11(15)8-13(10)14(18)17(2)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyBSZHOQUDBCRLDV-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds2

About 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide

5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide (PubChem CID 55228435) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
PubChem CID55228435
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)C1CCCNC1
InChIInChI=1S/C14H19FN2O/c1-10-5-6-11(15)8-13(10)14(18)17(2)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyBSZHOQUDBCRLDV-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
N,2,3-trimethyl-N-piperidin-3-ylbenzamide
CID 54923746
N,4-dimethyl-N-piperidin-3-ylthiophene-3-carboxamide
CID 79808319
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
N,2-dimethyl-N-piperidin-3-ylfuran-3-carboxamide
CID 60807065
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 104786200

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide (CID 55228435) is 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide is Cc1ccc(F)cc1C(=O)N(C)C1CCCNC1.
What is the InChIKey of 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide?
The InChIKey is BSZHOQUDBCRLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-5-6-11(15)8-13(10)14(18)17(2)12-4-3-7-16-9-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide?
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 55228435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).