(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone

C17H20F5N3O — CID 163354717

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2cc(C(F)(F)F)ccn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H20F5N3O/c18-16(19)4-8-24(9-5-16)15(26)12-2-1-7-25(11-12)14-10-13(3-6-23-14)17(20,21)22/h3,6,10,12H,1-2,4-5,7-9,11H2
InChIKeyVOIQCVAQSIKCQZ-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.57
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone (PubChem CID 163354717) has the molecular formula C17H20F5N3O and a molecular weight of 377.36 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
PubChem CID163354717
Molecular FormulaC17H20F5N3O
Molecular Weight377.36 g/mol
Exact Mass377.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2cc(C(F)(F)F)ccn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H20F5N3O/c18-16(19)4-8-24(9-5-16)15(26)12-2-1-7-25(11-12)14-10-13(3-6-23-14)17(20,21)22/h3,6,10,12H,1-2,4-5,7-9,11H2
InChIKeyVOIQCVAQSIKCQZ-UHFFFAOYSA-N
XLogP3.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 163354691
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide
CID 66329242
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
CID 166606013
3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclohexan-1-one
CID 143492784
[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-yl-2-pyridinyl)cyclohexyl]amino]pyrrolidin-1-yl]-[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 69010028
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 163354854
(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 129171739
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358156

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone (CID 163354717) is (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone is O=C(C1CCCN(c2cc(C(F)(F)F)ccn2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
The InChIKey is VOIQCVAQSIKCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5N3O/c18-16(19)4-8-24(9-5-16)15(26)12-2-1-7-25(11-12)14-10-13(3-6-23-14)17(20,21)22/h3,6,10,12H,1-2,4-5,7-9,11H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone has a molecular weight of 377.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone is sourced from PubChem (CID 163354717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).