2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide

C21H22Cl2N2O3 — CID 155990334

IUPAC2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1(COc2ccccc2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H22Cl2N2O3/c22-16-7-4-8-17(23)19(16)20(27)25-11-9-21(10-12-25,13-18(24)26)14-28-15-5-2-1-3-6-15/h1-8H,9-14H2,(H2,24,26)
InChIKeyGPNXKILOQYSONT-UHFFFAOYSA-N
MW421.32 g/mol
LogP4.17
Rot. Bonds6

About 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide

2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide (PubChem CID 155990334) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
PubChem CID155990334
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1(COc2ccccc2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H22Cl2N2O3/c22-16-7-4-8-17(23)19(16)20(27)25-11-9-21(10-12-25,13-18(24)26)14-28-15-5-2-1-3-6-15/h1-8H,9-14H2,(H2,24,26)
InChIKeyGPNXKILOQYSONT-UHFFFAOYSA-N
XLogP4.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 155990459
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110080574
2-[4-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide
CID 110079867
2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
CID 110080046
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 110080789
2-[4-[(3-chlorophenoxy)methyl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110079884
N-benzyl-2-[(3R)-1-(2,6-dichlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-N-methylacetamide
CID 124973613
2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110080012
2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(phenoxymethyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110081613
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 110080780
2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide
CID 110080005
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-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide (CID 155990334) is 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide is NC(=O)CC1(COc2ccccc2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide?
The InChIKey is GPNXKILOQYSONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c22-16-7-4-8-17(23)19(16)20(27)25-11-9-21(10-12-25,13-18(24)26)14-28-15-5-2-1-3-6-15/h1-8H,9-14H2,(H2,24,26).
What are the key properties of 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide?
2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide has a molecular weight of 421.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 155990334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).