2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

C22H27FN2O3 — CID 55959801

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C22H27FN2O3/c1-27-20-8-5-17(13-21(20)28-2)14-22(26)24-19-9-11-25(12-10-19)15-16-3-6-18(23)7-4-16/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyZUZJXDGWAUKOGE-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.17
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 55959801) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID55959801
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C22H27FN2O3/c1-27-20-8-5-17(13-21(20)28-2)14-22(26)24-19-9-11-25(12-10-19)15-16-3-6-18(23)7-4-16/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyZUZJXDGWAUKOGE-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 91639043
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 652756
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
2-chloroethyl 4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]piperidine-1-carboxylate
CID 108563121
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-yl)acetamide
CID 77089658
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71702291

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (CID 55959801) is 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is COc1ccc(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is ZUZJXDGWAUKOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-27-20-8-5-17(13-21(20)28-2)14-22(26)24-19-9-11-25(12-10-19)15-16-3-6-18(23)7-4-16/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55959801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).