N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C14H24F3N3O3 — CID 175812497

IUPACN-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)N1CCCCC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H23N3O.C2HF3O2/c1-14(11-5-7-13-8-6-11)12(16)15-9-3-2-4-10-15;3-2(4,5)1(6)7/h11,13H,2-10H2,1H3;(H,6,7)
InChIKeyZVZFNBUNELWQCJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.91
Rot. Bonds1

About N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175812497) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175812497
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC NameN-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C(=O)N1CCCCC1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H23N3O.C2HF3O2/c1-14(11-5-7-13-8-6-11)12(16)15-9-3-2-4-10-15;3-2(4,5)1(6)7/h11,13H,2-10H2,1H3;(H,6,7)
InChIKeyZVZFNBUNELWQCJ-UHFFFAOYSA-N
XLogP1.91
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 175812497) is N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is CN(C(=O)N1CCCCC1)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZVZFNBUNELWQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.C2HF3O2/c1-14(11-5-7-13-8-6-11)12(16)15-9-3-2-4-10-15;3-2(4,5)1(6)7/h11,13H,2-10H2,1H3;(H,6,7).
What are the key properties of N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 339.36 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175812497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).