methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate

C20H23N3O5 — CID 167759973

IUPACmethyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1C1CCN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C20H23N3O5/c1-22(2)18(24)14-4-6-15(7-5-14)19(25)23-10-8-13(9-11-23)17-16(20(26)27-3)21-12-28-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKALSFEGWMIJTNP-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.18
Rot. Bonds4

About methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate

methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 167759973) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID167759973
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Namemethyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1C1CCN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C20H23N3O5/c1-22(2)18(24)14-4-6-15(7-5-14)19(25)23-10-8-13(9-11-23)17-16(20(26)27-3)21-12-28-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKALSFEGWMIJTNP-UHFFFAOYSA-N
XLogP2.18
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837826
2-[1-(4-ethylbenzoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837884
5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 138050332
methyl 4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]benzoate
CID 90539808
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
N,N-dimethyl-4-[4-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 121021010
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
methyl 4-[4-(pyridin-2-ylmethyl)piperidine-1-carbonyl]benzoate
CID 122137060
methyl 4-[4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]benzoate
CID 46115400

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate (CID 167759973) is methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1ncoc1C1CCN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC1.
What is the InChIKey of methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is KALSFEGWMIJTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-22(2)18(24)14-4-6-15(7-5-14)19(25)23-10-8-13(9-11-23)17-16(20(26)27-3)21-12-28-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[4-(dimethylcarbamoyl)benzoyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 167759973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).