(2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

C22H28ClFN2O2 — CID 154913325

IUPAC(2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C22H27FN2O2.ClH/c1-27-21-8-3-2-6-18(21)16-25(22(26)20-7-4-5-14-24-20)15-13-17-9-11-19(23)12-10-17;/h2-3,6,8-12,20,24H,4-5,7,13-16H2,1H3;1H/t20-;/m0./s1
InChIKeyIOBIKYLWHXQGOV-BDQAORGHSA-N
MW406.93 g/mol
LogP3.97
Rot. Bonds7

About (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 154913325) has the molecular formula C22H28ClFN2O2 and a molecular weight of 406.93 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID154913325
Molecular FormulaC22H28ClFN2O2
Molecular Weight406.93 g/mol
Exact Mass406.18
IUPAC Name(2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C22H27FN2O2.ClH/c1-27-21-8-3-2-6-18(21)16-25(22(26)20-7-4-5-14-24-20)15-13-17-9-11-19(23)12-10-17;/h2-3,6,8-12,20,24H,4-5,7,13-16H2,1H3;1H/t20-;/m0./s1
InChIKeyIOBIKYLWHXQGOV-BDQAORGHSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.93
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808185
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 133113913
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119705002
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836
(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride (CID 154913325) is (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is COc1ccccc1CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is IOBIKYLWHXQGOV-BDQAORGHSA-N. The full InChI is InChI=1S/C22H27FN2O2.ClH/c1-27-21-8-3-2-6-18(21)16-25(22(26)20-7-4-5-14-24-20)15-13-17-9-11-19(23)12-10-17;/h2-3,6,8-12,20,24H,4-5,7,13-16H2,1H3;1H/t20-;/m0./s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 406.93 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154913325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).