1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C11H16F6N2O5 — CID 175893679

IUPAC1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCCC(C(N)=O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.2C2HF3O2/c1-9-4-2-3-6(5-9)7(8)10;2*3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H2,8,10);2*(H,6,7)
InChIKeyPMFYHRJSRWOSAC-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.08
Rot. Bonds1

About 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 175893679) has the molecular formula C11H16F6N2O5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID175893679
Molecular FormulaC11H16F6N2O5
Molecular Weight370.25 g/mol
Exact Mass370.10
IUPAC Name1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCCC(C(N)=O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.2C2HF3O2/c1-9-4-2-3-6(5-9)7(8)10;2*3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H2,8,10);2*(H,6,7)
InChIKeyPMFYHRJSRWOSAC-UHFFFAOYSA-N
XLogP1.08
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 175893679) is 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is CN1CCCC(C(N)=O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PMFYHRJSRWOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C2HF3O2/c1-9-4-2-3-6(5-9)7(8)10;2*3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H2,8,10);2*(H,6,7).
What are the key properties of 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 370.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 175893679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).