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

C23H29FN2O3S — CID 126465226

IUPACN-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C23H29FN2O3S/c1-25(23(28)15-29-2)21(13-17-3-5-20(24)6-4-17)19-7-10-26(11-8-19)22(27)14-18-9-12-30-16-18/h3-6,9,12,16,19,21H,7-8,10-11,13-15H2,1-2H3
InChIKeyIEMZTTBFFLWFHM-UHFFFAOYSA-N
MW432.56 g/mol
LogP3.38
Rot. Bonds8

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

N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (PubChem CID 126465226) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
PubChem CID126465226
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC NameN-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C23H29FN2O3S/c1-25(23(28)15-29-2)21(13-17-3-5-20(24)6-4-17)19-7-10-26(11-8-19)22(27)14-18-9-12-30-16-18/h3-6,9,12,16,19,21H,7-8,10-11,13-15H2,1-2H3
InChIKeyIEMZTTBFFLWFHM-UHFFFAOYSA-N
XLogP3.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 45208572
N-[(1S)-2-(4-fluorophenyl)-1-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 42460409
N-[2-(4-fluorophenyl)-1-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 45179660
N-[2-(4-fluorophenyl)-1-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126465534
N-[2-(4-fluorophenyl)-1-[1-(4-phenylbenzoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 45241996
N-[(1S)-2-(4-fluorophenyl)-1-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 42501730
N-[2-(4-fluorophenyl)-1-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126466837
N-[2-(4-fluorophenyl)-1-[1-(thiolan-3-yl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126466137
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-[(1R)-2-(4-fluorophenyl)-1-[1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 42451279
N-[2-(4-fluorophenyl)-1-[1-(1-phenylpyrazole-4-carbonyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 45218007
N-[(1R)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 42482993

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (CID 126465226) is N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The InChIKey is IEMZTTBFFLWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-25(23(28)15-29-2)21(13-17-3-5-20(24)6-4-17)19-7-10-26(11-8-19)22(27)14-18-9-12-30-16-18/h3-6,9,12,16,19,21H,7-8,10-11,13-15H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
N-[2-(4-fluorophenyl)-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide has a molecular weight of 432.56 g/mol, XLogP of 3.38, 8 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-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 126465226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).