4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide

C17H28N4O3 — CID 119103252

IUPAC4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1noc(C)c1CCC(=O)NCC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C17H28N4O3/c1-12-15(13(2)24-19-12)5-6-16(22)18-11-14-7-9-21(10-8-14)17(23)20(3)4/h14H,5-11H2,1-4H3,(H,18,22)
InChIKeyRKSDNVXDFRHHFZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.73
Rot. Bonds5

About 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 119103252) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID119103252
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1noc(C)c1CCC(=O)NCC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C17H28N4O3/c1-12-15(13(2)24-19-12)5-6-16(22)18-11-14-7-9-21(10-8-14)17(23)20(3)4/h14H,5-11H2,1-4H3,(H,18,22)
InChIKeyRKSDNVXDFRHHFZ-UHFFFAOYSA-N
XLogP1.73
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide (CID 119103252) is 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide is Cc1noc(C)c1CCC(=O)NCC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is RKSDNVXDFRHHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12-15(13(2)24-19-12)5-6-16(22)18-11-14-7-9-21(10-8-14)17(23)20(3)4/h14H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 119103252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).