2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

C21H26ClN3O4 — CID 53168352

IUPAC2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1Cl
InChIInChI=1S/C21H26ClN3O4/c1-13-19(21(27)24(2)3)23-20(29-13)15-7-9-25(10-8-15)18(26)12-14-5-6-17(28-4)16(22)11-14/h5-6,11,15H,7-10,12H2,1-4H3
InChIKeyUJGAGIPORHLELY-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.30
Rot. Bonds5

About 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide

2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (PubChem CID 53168352) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
PubChem CID53168352
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1Cl
InChIInChI=1S/C21H26ClN3O4/c1-13-19(21(27)24(2)3)23-20(29-13)15-7-9-25(10-8-15)18(26)12-14-5-6-17(28-4)16(22)11-14/h5-6,11,15H,7-10,12H2,1-4H3
InChIKeyUJGAGIPORHLELY-UHFFFAOYSA-N
XLogP3.30
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837876
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
2-(3-chloro-4-methoxyphenyl)-1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 53121768
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 31187475
2-(3-chloro-4-methoxyphenyl)-1-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121898
N,N,5-trimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837841
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913890
3-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91890655
N-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823518
3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 71837780

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide (CID 53168352) is 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is COc1ccc(CC(=O)N2CCC(c3nc(C(=O)N(C)C)c(C)o3)CC2)cc1Cl.
What is the InChIKey of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is UJGAGIPORHLELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-13-19(21(27)24(2)3)23-20(29-13)15-7-9-25(10-8-15)18(26)12-14-5-6-17(28-4)16(22)11-14/h5-6,11,15H,7-10,12H2,1-4H3.
What are the key properties of 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide?
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).