2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide

C20H24ClN3O4 — CID 110080035

IUPAC2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCCc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)on1
InChIInChI=1S/C20H24ClN3O4/c1-2-15-11-17(28-23-15)19(26)24-9-7-20(8-10-24,12-18(22)25)13-27-16-5-3-14(21)4-6-16/h3-6,11H,2,7-10,12-13H2,1H3,(H2,22,25)
InChIKeySNPJRFAJCIIVLT-UHFFFAOYSA-N
MW405.88 g/mol
LogP3.07
Rot. Bonds7

About 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide

2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide (PubChem CID 110080035) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide
PubChem CID110080035
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCCc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)on1
InChIInChI=1S/C20H24ClN3O4/c1-2-15-11-17(28-23-15)19(26)24-9-7-20(8-10-24,12-18(22)25)13-27-16-5-3-14(21)4-6-16/h3-6,11H,2,7-10,12-13H2,1H3,(H2,22,25)
InChIKeySNPJRFAJCIIVLT-UHFFFAOYSA-N
XLogP3.07
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
CID 110080046
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-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110080130
2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080408
2-[1-(2,6-dichlorobenzoyl)-4-(phenoxymethyl)piperidin-4-yl]acetamide
CID 155990334
2-[4-[(4-chlorophenoxy)methyl]-1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110080012
2-[3-[(3-chlorophenoxy)methyl]-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]acetamide
CID 110164885
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
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
2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide
CID 110080193
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 110080810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide (CID 110080035) is 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide is CCc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)on1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is SNPJRFAJCIIVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4/c1-2-15-11-17(28-23-15)19(26)24-9-7-20(8-10-24,12-18(22)25)13-27-16-5-3-14(21)4-6-16/h3-6,11H,2,7-10,12-13H2,1H3,(H2,22,25).
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide?
2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 405.88 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 110080035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).