N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide

C14H19FN2O — CID 169452670

IUPACN-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
SMILESCCNC(=O)c1ccc(C2CCNCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-2-17-14(18)11-3-4-12(13(15)9-11)10-5-7-16-8-6-10/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyDMWAPVUXJLHCKF-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.04
Rot. Bonds3

About N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide

N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide (PubChem CID 169452670) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
PubChem CID169452670
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
SMILESCCNC(=O)c1ccc(C2CCNCC2)c(F)c1
InChIInChI=1S/C14H19FN2O/c1-2-17-14(18)11-3-4-12(13(15)9-11)10-5-7-16-8-6-10/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyDMWAPVUXJLHCKF-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672
N-ethyl-2-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362043
3-[[(4-cyclopropyl-3-fluorophenyl)carbamoylamino]methyl]-N-ethylbenzamide
CID 119048893
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648880
N-ethyl-4-fluoro-3-hydroxybenzamide
CID 130057561
N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361829
[4-(ethylcarbamoyl)-2-fluorophenyl]boronic acid
CID 57497293
N-(2-methoxyethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396920
N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide
CID 171361782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide?
The IUPAC name of N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide (CID 169452670) is N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide.
What is the SMILES notation for N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide?
The canonical SMILES for N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide is CCNC(=O)c1ccc(C2CCNCC2)c(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide?
The InChIKey is DMWAPVUXJLHCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-17-14(18)11-3-4-12(13(15)9-11)10-5-7-16-8-6-10/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18).
What are the key properties of N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide?
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide is sourced from PubChem (CID 169452670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).