N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide

C23H29FN2O2 — CID 67904546

IUPACN-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccccc1F)[C@H]1CCN(CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C23H29FN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3/t18-,21+/m1/s1
InChIKeyKFFVAOMYIKQBDN-NQIIRXRSSA-N
MW384.49 g/mol
LogP3.76
Rot. Bonds7

About N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide

N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 67904546) has the molecular formula C23H29FN2O2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID67904546
Molecular FormulaC23H29FN2O2
Molecular Weight384.49 g/mol
Exact Mass384.22
IUPAC NameN-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccccc1F)[C@H]1CCN(CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C23H29FN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3/t18-,21+/m1/s1
InChIKeyKFFVAOMYIKQBDN-NQIIRXRSSA-N
XLogP3.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid
CID 173419203
N-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 54355045
N-(2-fluorophenyl)-N-[(3R,4S)-3-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 67896242
2-methoxy-N-[(3S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 18602333
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 67904302
benzyl 4-(2-fluoro-N-propanoylanilino)-3-methylpiperidine-1-carboxylate
CID 19832136
N-(1,3-benzothiazol-2-yl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 14330406
N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
CID 54094091
N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide
CID 70373665
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
N-(3-acetamidophenyl)-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;oxalic acid
CID 11620778
N-[(3S,4R)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]-N-(2-fluorophenyl)propanamide
CID 54312079

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 67904546) is N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide is COCC(=O)N(c1ccccc1F)[C@H]1CCN(CCc2ccccc2)C[C@H]1C.
What is the InChIKey of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is KFFVAOMYIKQBDN-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-18-16-25(14-12-19-8-4-3-5-9-19)15-13-21(18)26(23(27)17-28-2)22-11-7-6-10-20(22)24/h3-11,18,21H,12-17H2,1-2H3/t18-,21+/m1/s1.
What are the key properties of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 384.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 67904546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).