N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide

C16H23FN2O2 — CID 107067637

IUPACN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-12-6-5-9-18-15(12)16(20)19(2)10-11-21-14-8-4-3-7-13(14)17/h3-4,7-8,12,15,18H,5-6,9-11H2,1-2H3
InChIKeyILAUQTQUSUHYPO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.05
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide (PubChem CID 107067637) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
PubChem CID107067637
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-12-6-5-9-18-15(12)16(20)19(2)10-11-21-14-8-4-3-7-13(14)17/h3-4,7-8,12,15,18H,5-6,9-11H2,1-2H3
InChIKeyILAUQTQUSUHYPO-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
N,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidine-2-carboxamide
CID 81056495
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982144
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 73420162
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 119695560
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methyloxolane-3-carboxamide
CID 66240651
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide (CID 107067637) is N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(C)CCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
The InChIKey is ILAUQTQUSUHYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-6-5-9-18-15(12)16(20)19(2)10-11-21-14-8-4-3-7-13(14)17/h3-4,7-8,12,15,18H,5-6,9-11H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 107067637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).