5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

C13H16F3N3O4 — CID 167898116

IUPAC5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESNC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15N3O2.C2HF3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8;3-2(4,5)1(6)7/h1-2,7,9H,3-6,12H2,(H,13,15);(H,6,7)
InChIKeyDMRNGFLPEWFJGP-UHFFFAOYSA-N
MW335.28 g/mol
LogP0.57
Rot. Bonds1

About 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid

5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 167898116) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.28 g/mol. Its IUPAC name is 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID167898116
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC Name5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESNC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H15N3O2.C2HF3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8;3-2(4,5)1(6)7/h1-2,7,9H,3-6,12H2,(H,13,15);(H,6,7)
InChIKeyDMRNGFLPEWFJGP-UHFFFAOYSA-N
XLogP0.57
TPSA116.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid (CID 167898116) is 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is NC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is DMRNGFLPEWFJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C2HF3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8;3-2(4,5)1(6)7/h1-2,7,9H,3-6,12H2,(H,13,15);(H,6,7).
What are the key properties of 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid?
5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 335.28 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidine-1-carbonyl)-1H-pyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167898116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).