N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

C19H23FN2O2S — CID 42095101

IUPACN-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)c(F)c1
InChIInChI=1S/C19H23FN2O2S/c1-24-16-7-6-15(17(20)10-16)13-22-8-2-4-14(12-22)11-21-19(23)18-5-3-9-25-18/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyILHVODCUTCKPEW-AWEZNQCLSA-N
MW362.47 g/mol
LogP3.54
Rot. Bonds6

About N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 42095101) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID42095101
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)c(F)c1
InChIInChI=1S/C19H23FN2O2S/c1-24-16-7-6-15(17(20)10-16)13-22-8-2-4-14(12-22)11-21-19(23)18-5-3-9-25-18/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyILHVODCUTCKPEW-AWEZNQCLSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42461029
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723823
N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 45228883
N-[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]azepan-3-yl]-2-thiophen-2-ylacetamide
CID 96579788
N-[[(3R)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42355837
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
1-(2,4-dimethoxyphenyl)-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 94335154
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42275878
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 114849870

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 42095101) is N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is COc1ccc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)c(F)c1.
What is the InChIKey of N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ILHVODCUTCKPEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-24-16-7-6-15(17(20)10-16)13-22-8-2-4-14(12-22)11-21-19(23)18-5-3-9-25-18/h3,5-7,9-10,14H,2,4,8,11-13H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 42095101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).