N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide

C17H22F3N3O — CID 166606013

IUPACN-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C17H22F3N3O/c1-22(16(24)12-4-2-5-12)14-6-3-9-23(11-14)15-10-13(7-8-21-15)17(18,19)20/h7-8,10,12,14H,2-6,9,11H2,1H3
InChIKeyBQAZMZKVZHLQLE-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.33
Rot. Bonds3

About N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide

N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide (PubChem CID 166606013) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
PubChem CID166606013
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC NameN-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C17H22F3N3O/c1-22(16(24)12-4-2-5-12)14-6-3-9-23(11-14)15-10-13(7-8-21-15)17(18,19)20/h7-8,10,12,14H,2-6,9,11H2,1H3
InChIKeyBQAZMZKVZHLQLE-UHFFFAOYSA-N
XLogP3.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide (CID 166606013) is N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCCN(c2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide?
The InChIKey is BQAZMZKVZHLQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c1-22(16(24)12-4-2-5-12)14-6-3-9-23(11-14)15-10-13(7-8-21-15)17(18,19)20/h7-8,10,12,14H,2-6,9,11H2,1H3.
What are the key properties of N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide?
N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide has a molecular weight of 341.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 166606013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).