(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C21H26ClFN2O2 — CID 120620915

IUPAC(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CCN1.Cl
InChIInChI=1S/C21H25FN2O2.ClH/c1-15-11-18(9-10-23-15)21(25)24-13-16-5-7-20(8-6-16)26-14-17-3-2-4-19(22)12-17;/h2-8,12,15,18,23H,9-11,13-14H2,1H3,(H,24,25);1H/t15-,18-;/m0./s1
InChIKeyZAYPDEFYQYMIMF-NKGQWRHHSA-N
MW392.90 g/mol
LogP3.83
Rot. Bonds6

About (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120620915) has the molecular formula C21H26ClFN2O2 and a molecular weight of 392.90 g/mol. Its IUPAC name is (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120620915
Molecular FormulaC21H26ClFN2O2
Molecular Weight392.90 g/mol
Exact Mass392.17
IUPAC Name(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CCN1.Cl
InChIInChI=1S/C21H25FN2O2.ClH/c1-15-11-18(9-10-23-15)21(25)24-13-16-5-7-20(8-6-16)26-14-17-3-2-4-19(22)12-17;/h2-8,12,15,18,23H,9-11,13-14H2,1H3,(H,24,25);1H/t15-,18-;/m0./s1
InChIKeyZAYPDEFYQYMIMF-NKGQWRHHSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922648
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide
CID 95146364
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide;hydrochloride
CID 119712202
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641010
(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120639790
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120620915) is (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZAYPDEFYQYMIMF-NKGQWRHHSA-N. The full InChI is InChI=1S/C21H25FN2O2.ClH/c1-15-11-18(9-10-23-15)21(25)24-13-16-5-7-20(8-6-16)26-14-17-3-2-4-19(22)12-17;/h2-8,12,15,18,23H,9-11,13-14H2,1H3,(H,24,25);1H/t15-,18-;/m0./s1.
What are the key properties of (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 392.90 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).