(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H23ClF2N2O3 — CID 120638174

IUPAC(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-10-7-11(5-6-19-10)15(21)20-9-12-8-13(22-2)3-4-14(12)23-16(17)18;/h3-4,8,10-11,16,19H,5-7,9H2,1-2H3,(H,20,21);1H/t10-,11-;/m0./s1
InChIKeyUPDGFEGVSRRKAN-ACMTZBLWSA-N
MW364.82 g/mol
LogP2.72
Rot. Bonds6

About (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120638174) has the molecular formula C16H23ClF2N2O3 and a molecular weight of 364.82 g/mol. Its IUPAC name is (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120638174
Molecular FormulaC16H23ClF2N2O3
Molecular Weight364.82 g/mol
Exact Mass364.14
IUPAC Name(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-10-7-11(5-6-19-10)15(21)20-9-12-8-13(22-2)3-4-14(12)23-16(17)18;/h3-4,8,10-11,16,19H,5-7,9H2,1-2H3,(H,20,21);1H/t10-,11-;/m0./s1
InChIKeyUPDGFEGVSRRKAN-ACMTZBLWSA-N
XLogP2.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(2S,4S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621299
(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936748
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
CID 119816344
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641010
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119340121
(2S,4S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120630600

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120638174) is (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1ccc(OC(F)F)c(CNC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl.
What is the InChIKey of (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UPDGFEGVSRRKAN-ACMTZBLWSA-N. The full InChI is InChI=1S/C16H22F2N2O3.ClH/c1-10-7-11(5-6-19-10)15(21)20-9-12-8-13(22-2)3-4-14(12)23-16(17)18;/h3-4,8,10-11,16,19H,5-7,9H2,1-2H3,(H,20,21);1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).