3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

C21H27N3O4 — CID 24791330

IUPAC3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C21H27N3O4/c1-14-20(15(2)28-23-14)21(26)24-11-9-16(10-12-24)7-8-19(25)22-17-5-4-6-18(13-17)27-3/h4-6,13,16H,7-12H2,1-3H3,(H,22,25)
InChIKeyQYLBCLREOAPRPL-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.57
Rot. Bonds6

About 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 24791330) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID24791330
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C21H27N3O4/c1-14-20(15(2)28-23-14)21(26)24-11-9-16(10-12-24)7-8-19(25)22-17-5-4-6-18(13-17)27-3/h4-6,13,16H,7-12H2,1-3H3,(H,22,25)
InChIKeyQYLBCLREOAPRPL-UHFFFAOYSA-N
XLogP3.57
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 25163346
CID 25163346
CID 2260458
CID 2260458
CID 2681597
CID 2681597
CID 4789023
CID 4789023
CID 4788334
CID 4788334
CID 4801474
CID 4801474
CID 24790057
CID 24790057
CID 24790105
CID 24790105
CID 24790784
CID 24790784
CID 25163106
CID 25163106
CID 2738197
CID 2738197
CID 2741374
CID 2741374

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (CID 24791330) is 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)c3c(C)noc3C)CC2)c1.
What is the InChIKey of 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is QYLBCLREOAPRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-20(15(2)28-23-14)21(26)24-11-9-16(10-12-24)7-8-19(25)22-17-5-4-6-18(13-17)27-3/h4-6,13,16H,7-12H2,1-3H3,(H,22,25).
What are the key properties of 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 385.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 24791330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).