2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide

C23H26ClFN2O3 — CID 110080012

IUPAC2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C23H26ClFN2O3/c24-18-6-8-19(9-7-18)30-16-23(15-21(26)28)11-13-27(14-12-23)22(29)10-5-17-3-1-2-4-20(17)25/h1-4,6-9H,5,10-16H2,(H2,26,28)
InChIKeyJFYDIDMZUFMUGO-UHFFFAOYSA-N
MW432.92 g/mol
LogP3.97
Rot. Bonds8

About 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide

2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide (PubChem CID 110080012) has the molecular formula C23H26ClFN2O3 and a molecular weight of 432.92 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
PubChem CID110080012
Molecular FormulaC23H26ClFN2O3
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C23H26ClFN2O3/c24-18-6-8-19(9-7-18)30-16-23(15-21(26)28)11-13-27(14-12-23)22(29)10-5-17-3-1-2-4-20(17)25/h1-4,6-9H,5,10-16H2,(H2,26,28)
InChIKeyJFYDIDMZUFMUGO-UHFFFAOYSA-N
XLogP3.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 125010812
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080455
2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
CID 110080046
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
CID 155990334
2-[1-[2-(4-chlorophenoxy)acetyl]-4-[(4-chlorophenoxy)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110080615
2-[3-[(4-fluorophenoxy)methyl]-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 110080337
2-[4-[(4-chlorophenoxy)methyl]-1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-1-piperidin-1-ylethanone
CID 110080660
2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide
CID 110080005
2-[4-[(4-fluorophenoxy)methyl]-1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]acetamide
CID 124950616
2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide
CID 110079867
2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110080035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide (CID 110080012) is 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide is NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)CCc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is JFYDIDMZUFMUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O3/c24-18-6-8-19(9-7-18)30-16-23(15-21(26)28)11-13-27(14-12-23)22(29)10-5-17-3-1-2-4-20(17)25/h1-4,6-9H,5,10-16H2,(H2,26,28).
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 432.92 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110080012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).