(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide

C15H21FN2O2 — CID 81129858

IUPAC(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O2/c1-18(15(19)12-5-4-8-17-11-12)9-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3/t12-/m1/s1
InChIKeyRJBQEGCJKOTNKB-GFCCVEGCSA-N
MW280.34 g/mol
LogP1.66
Rot. Bonds5

About (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide

(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 81129858) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID81129858
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21FN2O2/c1-18(15(19)12-5-4-8-17-11-12)9-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3/t12-/m1/s1
InChIKeyRJBQEGCJKOTNKB-GFCCVEGCSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067637
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 73420162
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982144
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
CID 55245884
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide (CID 81129858) is (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide is CN(CCOc1ccccc1F)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is RJBQEGCJKOTNKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(15(19)12-5-4-8-17-11-12)9-10-20-14-7-3-2-6-13(14)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81129858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).