N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide

C14H17F3N4O2 — CID 134025795

IUPACN-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F3N4O2/c1-18-12(22)9-20-4-6-21(7-5-20)13(23)10-2-3-11(19-8-10)14(15,16)17/h2-3,8H,4-7,9H2,1H3,(H,18,22)
InChIKeyCWYFXARLVZVESX-UHFFFAOYSA-N
MW330.31 g/mol
LogP0.60
Rot. Bonds3

About N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide

N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 134025795) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID134025795
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC NameN-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C14H17F3N4O2/c1-18-12(22)9-20-4-6-21(7-5-20)13(23)10-2-3-11(19-8-10)14(15,16)17/h2-3,8H,4-7,9H2,1H3,(H,18,22)
InChIKeyCWYFXARLVZVESX-UHFFFAOYSA-N
XLogP0.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 39463575
(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119423684
2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 114325955
2-[4-(6-aminopyridine-3-carbonyl)piperazin-1-yl]-N-ethylacetamide
CID 72857433
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide (CID 134025795) is N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is CWYFXARLVZVESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-18-12(22)9-20-4-6-21(7-5-20)13(23)10-2-3-11(19-8-10)14(15,16)17/h2-3,8H,4-7,9H2,1H3,(H,18,22).
What are the key properties of N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 330.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134025795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).