methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid

C15H25F3N2O5 — CID 25157727

IUPACmethyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O3.C2HF3O2/c1-9(2)8-11(13(17)18-3)15-12(16)10-4-6-14-7-5-10;3-2(4,5)1(6)7/h9-11,14H,4-8H2,1-3H3,(H,15,16);(H,6,7)
InChIKeyYHDHZTZNBATYFK-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.32
Rot. Bonds5

About methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid

methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid (PubChem CID 25157727) has the molecular formula C15H25F3N2O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid
PubChem CID25157727
Molecular FormulaC15H25F3N2O5
Molecular Weight370.37 g/mol
Exact Mass370.17
IUPAC Namemethyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O3.C2HF3O2/c1-9(2)8-11(13(17)18-3)15-12(16)10-4-6-14-7-5-10;3-2(4,5)1(6)7/h9-11,14H,4-8H2,1-3H3,(H,15,16);(H,6,7)
InChIKeyYHDHZTZNBATYFK-UHFFFAOYSA-N
XLogP1.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid (CID 25157727) is methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid is COC(=O)C(CC(C)C)NC(=O)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid?
The InChIKey is YHDHZTZNBATYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.C2HF3O2/c1-9(2)8-11(13(17)18-3)15-12(16)10-4-6-14-7-5-10;3-2(4,5)1(6)7/h9-11,14H,4-8H2,1-3H3,(H,15,16);(H,6,7).
What are the key properties of methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid?
methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid has a molecular weight of 370.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25157727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).