(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H24ClFN2O2 — CID 120636246

IUPAC(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@H]1CCN[C@@H](C)C1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-11-8-13(6-7-18-11)16(20)19-10-12(2)21-15-5-3-4-14(17)9-15;/h3-5,9,11-13,18H,6-8,10H2,1-2H3,(H,19,20);1H/t11-,12?,13-;/m0./s1
InChIKeyGOAUMOGVMIDJSX-YOGGQWRYSA-N
MW330.83 g/mol
LogP2.52
Rot. Bonds5

About (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120636246) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120636246
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC Name(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@H]1CCN[C@@H](C)C1)Oc1cccc(F)c1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-11-8-13(6-7-18-11)16(20)19-10-12(2)21-15-5-3-4-14(17)9-15;/h3-5,9,11-13,18H,6-8,10H2,1-2H3,(H,19,20);1H/t11-,12?,13-;/m0./s1
InChIKeyGOAUMOGVMIDJSX-YOGGQWRYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119335633
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
N-[2-(4-fluorophenoxy)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119804506
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 154766090
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120627706
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98774987
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120636246) is (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC(CNC(=O)[C@H]1CCN[C@@H](C)C1)Oc1cccc(F)c1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GOAUMOGVMIDJSX-YOGGQWRYSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c1-11-8-13(6-7-18-11)16(20)19-10-12(2)21-15-5-3-4-14(17)9-15;/h3-5,9,11-13,18H,6-8,10H2,1-2H3,(H,19,20);1H/t11-,12?,13-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).