1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone

C20H25FN2O2S — CID 110825860

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone
SMILESCOc1ccc(C(=O)CNCC(c2cccs2)N2CCCCC2)cc1F
InChIInChI=1S/C20H25FN2O2S/c1-25-19-8-7-15(12-16(19)21)18(24)14-22-13-17(20-6-5-11-26-20)23-9-3-2-4-10-23/h5-8,11-12,17,22H,2-4,9-10,13-14H2,1H3
InChIKeyJATHEMUNLMSAAC-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.90
Rot. Bonds8

About 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone (PubChem CID 110825860) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone
PubChem CID110825860
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone
SMILESCOc1ccc(C(=O)CNCC(c2cccs2)N2CCCCC2)cc1F
InChIInChI=1S/C20H25FN2O2S/c1-25-19-8-7-15(12-16(19)21)18(24)14-22-13-17(20-6-5-11-26-20)23-9-3-2-4-10-23/h5-8,11-12,17,22H,2-4,9-10,13-14H2,1H3
InChIKeyJATHEMUNLMSAAC-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone with MolForge

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-[(2-phenyl-2-piperidin-1-ylethyl)amino]ethanone
CID 110825838
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147
1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone
CID 110825842
2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829053
4-(difluoromethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006504
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 60580755
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone (CID 110825860) is 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone is COc1ccc(C(=O)CNCC(c2cccs2)N2CCCCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone?
The InChIKey is JATHEMUNLMSAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-25-19-8-7-15(12-16(19)21)18(24)14-22-13-17(20-6-5-11-26-20)23-9-3-2-4-10-23/h5-8,11-12,17,22H,2-4,9-10,13-14H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone has a molecular weight of 376.50 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[(2-piperidin-1-yl-2-thiophen-2-ylethyl)amino]ethanone is sourced from PubChem (CID 110825860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).