(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H23ClF2N2O2 — CID 120624769

IUPAC(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-10-7-12(5-6-19-10)16(21)20-11(2)9-22-15-4-3-13(17)8-14(15)18;/h3-4,8,10-12,19H,5-7,9H2,1-2H3,(H,20,21);1H/t10-,11?,12-;/m0./s1
InChIKeySNFPUZKJMCFIHB-FLTGHQHWSA-N
MW348.82 g/mol
LogP2.66
Rot. Bonds5

About (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120624769) has the molecular formula C16H23ClF2N2O2 and a molecular weight of 348.82 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120624769
Molecular FormulaC16H23ClF2N2O2
Molecular Weight348.82 g/mol
Exact Mass348.14
IUPAC Name(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22F2N2O2.ClH/c1-10-7-12(5-6-19-10)16(21)20-11(2)9-22-15-4-3-13(17)8-14(15)18;/h3-4,8,10-12,19H,5-7,9H2,1-2H3,(H,20,21);1H/t10-,11?,12-;/m0./s1
InChIKeySNFPUZKJMCFIHB-FLTGHQHWSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959
(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638097
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
(2S,4S)-N-(5-fluoro-2-propan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120630411
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636090
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120636091

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120624769) is (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC(COc1ccc(F)cc1F)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is SNFPUZKJMCFIHB-FLTGHQHWSA-N. The full InChI is InChI=1S/C16H22F2N2O2.ClH/c1-10-7-12(5-6-19-10)16(21)20-11(2)9-22-15-4-3-13(17)8-14(15)18;/h3-4,8,10-12,19H,5-7,9H2,1-2H3,(H,20,21);1H/t10-,11?,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 348.82 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).