(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C12H14F3N3O — CID 105070498

IUPAC(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNc1cnccc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)8-2-5-18(6-3-8)11(19)9-1-4-17-7-10(9)16/h1,4,7-8H,2-3,5-6,16H2
InChIKeyIMMUOBWOPAEIDB-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.08
Rot. Bonds1

About (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 105070498) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID105070498
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNc1cnccc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)8-2-5-18(6-3-8)11(19)9-1-4-17-7-10(9)16/h1,4,7-8H,2-3,5-6,16H2
InChIKeyIMMUOBWOPAEIDB-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 105071136
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
CID 110850208
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 105070123
(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 105072274
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 126739502
(2-chloro-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 172646099

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 105070498) is (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Nc1cnccc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is IMMUOBWOPAEIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)8-2-5-18(6-3-8)11(19)9-1-4-17-7-10(9)16/h1,4,7-8H,2-3,5-6,16H2.
What are the key properties of (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 273.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 105070498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).