3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide

C14H16F4N2O — CID 107641764

IUPAC3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2c(F)c(F)cc(F)c2F)CCCNC1
InChIInChI=1S/C14H16F4N2O/c1-2-14(4-3-5-19-7-14)13(21)20-12-10(17)8(15)6-9(16)11(12)18/h6,19H,2-5,7H2,1H3,(H,20,21)
InChIKeyLNQBCHCFFFBCGI-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.96
Rot. Bonds3

About 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide

3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide (PubChem CID 107641764) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
PubChem CID107641764
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2c(F)c(F)cc(F)c2F)CCCNC1
InChIInChI=1S/C14H16F4N2O/c1-2-14(4-3-5-19-7-14)13(21)20-12-10(17)8(15)6-9(16)11(12)18/h6,19H,2-5,7H2,1H3,(H,20,21)
InChIKeyLNQBCHCFFFBCGI-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
CID 63132083
3-ethyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132332
4-[(3-ethylpyrrolidine-3-carbonyl)amino]-3-fluorobenzoic acid
CID 63187702

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide (CID 107641764) is 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide is CCC1(C(=O)Nc2c(F)c(F)cc(F)c2F)CCCNC1.
What is the InChIKey of 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide?
The InChIKey is LNQBCHCFFFBCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-2-14(4-3-5-19-7-14)13(21)20-12-10(17)8(15)6-9(16)11(12)18/h6,19H,2-5,7H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide?
3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide has a molecular weight of 304.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 107641764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).