2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide

C21H21ClF2N2O3 — CID 110079867

IUPAC2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1(COc2cccc(Cl)c2)CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H21ClF2N2O3/c22-14-2-1-3-16(10-14)29-13-21(12-19(25)27)6-8-26(9-7-21)20(28)17-5-4-15(23)11-18(17)24/h1-5,10-11H,6-9,12-13H2,(H2,25,27)
InChIKeyVHCPJIJEUFJWDP-UHFFFAOYSA-N
MW422.86 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide

2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 110079867) has the molecular formula C21H21ClF2N2O3 and a molecular weight of 422.86 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide
PubChem CID110079867
Molecular FormulaC21H21ClF2N2O3
Molecular Weight422.86 g/mol
Exact Mass422.12
IUPAC Name2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1(COc2cccc(Cl)c2)CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H21ClF2N2O3/c22-14-2-1-3-16(10-14)29-13-21(12-19(25)27)6-8-26(9-7-21)20(28)17-5-4-15(23)11-18(17)24/h1-5,10-11H,6-9,12-13H2,(H2,25,27)
InChIKeyVHCPJIJEUFJWDP-UHFFFAOYSA-N
XLogP3.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-chlorophenoxy)methyl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110079884
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 125006010
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 110080789
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-[2-(3-fluorophenoxy)acetyl]piperidin-3-yl]acetamide
CID 124962740
2-[2-[(3-chlorophenoxy)methyl]-4-(2,4-difluorobenzoyl)morpholin-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081322
2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
CID 155990334
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 125014466
2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947580
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947579
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]acetamide
CID 125010812
2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
CID 110080046
2-[1-(3-chlorobenzoyl)-4-[(3-chlorophenoxy)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110079907

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide (CID 110079867) is 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide is NC(=O)CC1(COc2cccc(Cl)c2)CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is VHCPJIJEUFJWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O3/c22-14-2-1-3-16(10-14)29-13-21(12-19(25)27)6-8-26(9-7-21)20(28)17-5-4-15(23)11-18(17)24/h1-5,10-11H,6-9,12-13H2,(H2,25,27).
What are the key properties of 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide?
2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 422.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 110079867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).