(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide

C15H21FN2O2 — CID 97235197

IUPAC(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
SMILESC[C@@H](COc1cccc(F)c1)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H21FN2O2/c1-11(10-20-13-6-4-5-12(16)9-13)18-15(19)14-7-2-3-8-17-14/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyZLSLKIDFLODKIK-FZMZJTMJSA-N
MW280.34 g/mol
LogP1.85
Rot. Bonds5

About (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide

(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide (PubChem CID 97235197) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
PubChem CID97235197
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
SMILESC[C@@H](COc1cccc(F)c1)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H21FN2O2/c1-11(10-20-13-6-4-5-12(16)9-13)18-15(19)14-7-2-3-8-17-14/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyZLSLKIDFLODKIK-FZMZJTMJSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635
N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 119301760
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299994
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide (CID 97235197) is (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide is C[C@@H](COc1cccc(F)c1)NC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is ZLSLKIDFLODKIK-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(10-20-13-6-4-5-12(16)9-13)18-15(19)14-7-2-3-8-17-14/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3,(H,18,19)/t11-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide?
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 97235197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).