N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid

C17H26F3N3O4 — CID 154888475

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN(C)C(=O)CCN2CCCC(C)C2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N3O2.C2HF3O2/c1-12-5-4-7-18(10-12)8-6-15(19)17(3)11-14-9-13(2)16-20-14;3-2(4,5)1(6)7/h9,12H,4-8,10-11H2,1-3H3;(H,6,7)
InChIKeyWSTVSXKNQPVLJS-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid (PubChem CID 154888475) has the molecular formula C17H26F3N3O4 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
PubChem CID154888475
Molecular FormulaC17H26F3N3O4
Molecular Weight393.41 g/mol
Exact Mass393.19
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN(C)C(=O)CCN2CCCC(C)C2)on1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N3O2.C2HF3O2/c1-12-5-4-7-18(10-12)8-6-15(19)17(3)11-14-9-13(2)16-20-14;3-2(4,5)1(6)7/h9,12H,4-8,10-11H2,1-3H3;(H,6,7)
InChIKeyWSTVSXKNQPVLJS-UHFFFAOYSA-N
XLogP2.70
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid (CID 154888475) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid is Cc1cc(CN(C)C(=O)CCN2CCCC(C)C2)on1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is WSTVSXKNQPVLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.C2HF3O2/c1-12-5-4-7-18(10-12)8-6-15(19)17(3)11-14-9-13(2)16-20-14;3-2(4,5)1(6)7/h9,12H,4-8,10-11H2,1-3H3;(H,6,7).
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 393.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(3-methylpiperidin-1-yl)propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).