N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H18F3N3O3 — CID 110730548

IUPACN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCn1cc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C15H18F3N3O3/c1-20-9-10(2-3-12(20)22)8-19-13(23)11-4-6-21(7-5-11)14(24)15(16,17)18/h2-3,9,11H,4-8H2,1H3,(H,19,23)
InChIKeyARPAYSANRBUKBK-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.80
Rot. Bonds3

About N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110730548) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110730548
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCn1cc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C15H18F3N3O3/c1-20-9-10(2-3-12(20)22)8-19-13(23)11-4-6-21(7-5-11)14(24)15(16,17)18/h2-3,9,11H,4-8H2,1H3,(H,19,23)
InChIKeyARPAYSANRBUKBK-UHFFFAOYSA-N
XLogP0.80
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110730548) is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cn1cc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)ccc1=O.
What is the InChIKey of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is ARPAYSANRBUKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-20-9-10(2-3-12(20)22)8-19-13(23)11-4-6-21(7-5-11)14(24)15(16,17)18/h2-3,9,11H,4-8H2,1H3,(H,19,23).
What are the key properties of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110730548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).