(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C13H16F3N3O — CID 115737426

IUPAC(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC1CN(C(=O)c2ccc(C(F)(F)F)cn2)CCC1N
InChIInChI=1S/C13H16F3N3O/c1-8-7-19(5-4-10(8)17)12(20)11-3-2-9(6-18-11)13(14,15)16/h2-3,6,8,10H,4-5,7,17H2,1H3
InChIKeyXAQYYYNKENKJJR-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.91
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 115737426) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID115737426
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC1CN(C(=O)c2ccc(C(F)(F)F)cn2)CCC1N
InChIInChI=1S/C13H16F3N3O/c1-8-7-19(5-4-10(8)17)12(20)11-3-2-9(6-18-11)13(14,15)16/h2-3,6,8,10H,4-5,7,17H2,1H3
InChIKeyXAQYYYNKENKJJR-UHFFFAOYSA-N
XLogP1.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737597
5-(4-amino-3-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 79880596
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
CID 119464987
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115577232
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79879858
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 119592537
(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 79868417
4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 115616275
(4-amino-3-methylpiperidin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610527
2-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527605
[2-(aminomethyl)-4-methylpiperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737872

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 115737426) is (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is CC1CN(C(=O)c2ccc(C(F)(F)F)cn2)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is XAQYYYNKENKJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-7-19(5-4-10(8)17)12(20)11-3-2-9(6-18-11)13(14,15)16/h2-3,6,8,10H,4-5,7,17H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 287.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 115737426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).