N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide

C24H31FN2O3S — CID 45185249

IUPACN-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C24H31FN2O3S/c1-26(24(29)17-30-2)22(16-18-5-7-20(25)8-6-18)19-11-13-27(14-12-19)23(28)10-9-21-4-3-15-31-21/h3-8,15,19,22H,9-14,16-17H2,1-2H3
InChIKeyJWAZNMHCFOKMLQ-UHFFFAOYSA-N
MW446.59 g/mol
LogP3.77
Rot. Bonds9

About N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide

N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (PubChem CID 45185249) has the molecular formula C24H31FN2O3S and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
PubChem CID45185249
Molecular FormulaC24H31FN2O3S
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC NameN-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C24H31FN2O3S/c1-26(24(29)17-30-2)22(16-18-5-7-20(25)8-6-18)19-11-13-27(14-12-19)23(28)10-9-21-4-3-15-31-21/h3-8,15,19,22H,9-14,16-17H2,1-2H3
InChIKeyJWAZNMHCFOKMLQ-UHFFFAOYSA-N
XLogP3.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 6710476
2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4784852
2-(4-fluorophenyl)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)acetamide
CID 16931692
N-[(R)-2-morpholino-2-(3-thienyl)ethyl](p-fluorophenyl)acetamide
CID 30604991
1-(4-(2-(4-Fluorophenyl)cyclopropanecarbonyl)piperazin-1-yl)-2-(thiophen-2-yl)ethanone
CID 45587909
2-(4-Fluorophenyl)-1-(4-(thiophen-2-yl)piperidin-1-yl)ethanone
CID 71786850
3-(2-Fluorophenyl)-1-[4-(thiophen-3-YL)piperidin-1-YL]propan-1-one
CID 71807076
N-cyclopropyl-3-(2-fluorophenyl)-N-(2-(thiophen-2-yl)ethyl)propanamide
CID 72717923
3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 73167963
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 73167964
2-(4-fluorophenyl)-N-(tetrahydro-2H-pyran-4-yl)-N-(2-(thiophen-2-yl)ethyl)acetamide
CID 76147268
1-(2-Methoxyacetyl)-4-methyl-6-{[4-(thiophen-2-YL)phenyl]methyl}-1,4-diazepan-5-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (CID 45185249) is N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)CCc2cccs2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The InChIKey is JWAZNMHCFOKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-26(24(29)17-30-2)22(16-18-5-7-20(25)8-6-18)19-11-13-27(14-12-19)23(28)10-9-21-4-3-15-31-21/h3-8,15,19,22H,9-14,16-17H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide has a molecular weight of 446.59 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 45185249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).