N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide

C25H31FN2O4 — CID 45208572

IUPACN-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O4/c1-27(24(29)17-31-2)23(16-19-8-10-21(26)11-9-19)20-12-14-28(15-13-20)25(30)18-32-22-6-4-3-5-7-22/h3-11,20,23H,12-18H2,1-2H3
InChIKeyWJWBXSYYRRYFNO-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.16
Rot. Bonds9

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

N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (PubChem CID 45208572) has the molecular formula C25H31FN2O4 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
PubChem CID45208572
Molecular FormulaC25H31FN2O4
Molecular Weight442.53 g/mol
Exact Mass442.23
IUPAC NameN-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C25H31FN2O4/c1-27(24(29)17-31-2)23(16-19-8-10-21(26)11-9-19)20-12-14-28(15-13-20)25(30)18-32-22-6-4-3-5-7-22/h3-11,20,23H,12-18H2,1-2H3
InChIKeyWJWBXSYYRRYFNO-UHFFFAOYSA-N
XLogP3.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-phenylbenzoyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 45241996
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-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126465226
N-[2-(4-fluorophenyl)-1-[1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126465534
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-[2-(4-fluorophenyl)-1-[1-(thiolan-3-yl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide
CID 126466137
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
3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide (CID 45208572) is N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)C(Cc1ccc(F)cc1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
The InChIKey is WJWBXSYYRRYFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O4/c1-27(24(29)17-31-2)23(16-19-8-10-21(26)11-9-19)20-12-14-28(15-13-20)25(30)18-32-22-6-4-3-5-7-22/h3-11,20,23H,12-18H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide?
N-[2-(4-fluorophenyl)-1-[1-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide has a molecular weight of 442.53 g/mol, XLogP of 3.16, 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-(2-phenoxyacetyl)piperidin-4-yl]ethyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 45208572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).