4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide

C14H19FN2O — CID 177300842

IUPAC4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2CCNCC2F)cc1
InChIInChI=1S/C14H19FN2O/c1-17(2)14(18)11-5-3-10(4-6-11)12-7-8-16-9-13(12)15/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyYUXZQOUDYVJCIQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.80
Rot. Bonds2

About 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide

4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide (PubChem CID 177300842) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide
PubChem CID177300842
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2CCNCC2F)cc1
InChIInChI=1S/C14H19FN2O/c1-17(2)14(18)11-5-3-10(4-6-11)12-7-8-16-9-13(12)15/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyYUXZQOUDYVJCIQ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylpiperidin-3-yl)benzoic acid
CID 165482617
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
CID 165483276
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide
CID 166826538
N,N-dimethyl-4-(2-methylpiperidin-4-yl)benzamide;ethane
CID 177354214
4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68870525
4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 68935262
1-[4-(2-fluorocyclobutyl)phenyl]ethanone
CID 115019007
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
4-(3-ethylpiperidin-4-yl)benzamide
CID 175844110
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
CID 142415331

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide (CID 177300842) is 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C2CCNCC2F)cc1.
What is the InChIKey of 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide?
The InChIKey is YUXZQOUDYVJCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17(2)14(18)11-5-3-10(4-6-11)12-7-8-16-9-13(12)15/h3-6,12-13,16H,7-9H2,1-2H3.
What are the key properties of 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide?
4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 177300842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).