5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide

C19H21FN2O2S — CID 42310633

IUPAC5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-15-6-4-10-22(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyDOXMCTWMNWUYRT-HNNXBMFYSA-N
MW360.45 g/mol
LogP3.48
Rot. Bonds5

About 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide

5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 42310633) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
PubChem CID42310633
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)s1
InChIInChI=1S/C19H21FN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-15-6-4-10-22(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyDOXMCTWMNWUYRT-HNNXBMFYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56712984
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 131921487
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
1-[5-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]-1-methylpyrrol-3-yl]ethanone
CID 131943324
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 95713609
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 42307959

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide (CID 42310633) is 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)s1.
What is the InChIKey of 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is DOXMCTWMNWUYRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13(23)17-8-9-18(25-17)19(24)21-15-6-4-10-22(12-15)11-14-5-2-3-7-16(14)20/h2-3,5,7-9,15H,4,6,10-12H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide?
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42310633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).