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

C19H22ClN3O4 — CID 110080005

IUPAC2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESCc1nc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)co1
InChIInChI=1S/C19H22ClN3O4/c1-13-22-16(11-26-13)18(25)23-8-6-19(7-9-23,10-17(21)24)12-27-15-4-2-14(20)3-5-15/h2-5,11H,6-10,12H2,1H3,(H2,21,24)
InChIKeyMLTIPLVKODALBD-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.81
Rot. Bonds6

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

2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide (PubChem CID 110080005) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide
PubChem CID110080005
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESCc1nc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)co1
InChIInChI=1S/C19H22ClN3O4/c1-13-22-16(11-26-13)18(25)23-8-6-19(7-9-23,10-17(21)24)12-27-15-4-2-14(20)3-5-15/h2-5,11H,6-10,12H2,1H3,(H2,21,24)
InChIKeyMLTIPLVKODALBD-UHFFFAOYSA-N
XLogP2.81
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110080035
2-[4-[(4-chlorophenoxy)methyl]-1-(4-ethylbenzoyl)piperidin-4-yl]acetamide
CID 110080046
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-[(4-chloro-3-methylphenoxy)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]acetamide
CID 110080193
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[4-[(3-chlorophenoxy)methyl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110079884
2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 110080789
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 125000182
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-[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-[(3-chlorophenoxy)methyl]-1-(2,4-difluorobenzoyl)piperidin-4-yl]acetamide
CID 110079867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide (CID 110080005) is 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide is Cc1nc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)co1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is MLTIPLVKODALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-13-22-16(11-26-13)18(25)23-8-6-19(7-9-23,10-17(21)24)12-27-15-4-2-14(20)3-5-15/h2-5,11H,6-10,12H2,1H3,(H2,21,24).
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide?
2-[4-[(4-chlorophenoxy)methyl]-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 391.86 g/mol, XLogP of 2.81, 6 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-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 110080005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).