N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide

C22H29FN2O2S — CID 67904302

IUPACN-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
SMILESCOC(C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2cccs2)C[C@H]1C
InChIInChI=1S/C22H29FN2O2S/c1-16-15-24(12-10-18-7-6-14-28-18)13-11-20(16)25(22(26)17(2)27-3)21-9-5-4-8-19(21)23/h4-9,14,16-17,20H,10-13,15H2,1-3H3/t16-,17?,20+/m1/s1
InChIKeyJIKKIUARYBEXPE-ZYLKAMJESA-N
MW404.55 g/mol
LogP4.21
Rot. Bonds7

About N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide

N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide (PubChem CID 67904302) has the molecular formula C22H29FN2O2S and a molecular weight of 404.55 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
PubChem CID67904302
Molecular FormulaC22H29FN2O2S
Molecular Weight404.55 g/mol
Exact Mass404.19
IUPAC NameN-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
SMILESCOC(C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2cccs2)C[C@H]1C
InChIInChI=1S/C22H29FN2O2S/c1-16-15-24(12-10-18-7-6-14-28-18)13-11-20(16)25(22(26)17(2)27-3)21-9-5-4-8-19(21)23/h4-9,14,16-17,20H,10-13,15H2,1-3H3/t16-,17?,20+/m1/s1
InChIKeyJIKKIUARYBEXPE-ZYLKAMJESA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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-phenylethyl)piperidin-4-yl]acetamide
CID 67904546
N-(2-fluorophenyl)-N-[[(3R,4R)-3-methoxy-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methoxy]acetamide
CID 54498199
N-(2-fluorophenyl)-N-[[(3R,4S)-3-methoxy-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methoxy]acetamide
CID 54498200
4-bromo-3-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 114682366
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
3-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]furan-2-carboxamide
CID 70454946
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3-phenylfuran-2-carboxamide
CID 70454995
1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732159

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide (CID 67904302) is N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide is COC(C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2cccs2)C[C@H]1C.
What is the InChIKey of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
The InChIKey is JIKKIUARYBEXPE-ZYLKAMJESA-N. The full InChI is InChI=1S/C22H29FN2O2S/c1-16-15-24(12-10-18-7-6-14-28-18)13-11-20(16)25(22(26)17(2)27-3)21-9-5-4-8-19(21)23/h4-9,14,16-17,20H,10-13,15H2,1-3H3/t16-,17?,20+/m1/s1.
What are the key properties of N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide has a molecular weight of 404.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 67904302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).