(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone

C17H15F2N3O3 — CID 51105832

IUPAC(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ncccc2O)CC1
InChIInChI=1S/C17H15F2N3O3/c18-12-4-3-11(10-13(12)19)16(24)21-6-8-22(9-7-21)17(25)15-14(23)2-1-5-20-15/h1-5,10,23H,6-9H2
InChIKeyPTGYYPKKYNNPSH-UHFFFAOYSA-N
MW347.32 g/mol
LogP1.66
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 51105832) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID51105832
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ncccc2O)CC1
InChIInChI=1S/C17H15F2N3O3/c18-12-4-3-11(10-13(12)19)16(24)21-6-8-22(9-7-21)17(25)15-14(23)2-1-5-20-15/h1-5,10,23H,6-9H2
InChIKeyPTGYYPKKYNNPSH-UHFFFAOYSA-N
XLogP1.66
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 56724435
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197
[4-(3,4-difluorobenzoyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 129042836
[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 55853223
[4-(4-bromophenyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113077272
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone (CID 51105832) is (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ncccc2O)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is PTGYYPKKYNNPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c18-12-4-3-11(10-13(12)19)16(24)21-6-8-22(9-7-21)17(25)15-14(23)2-1-5-20-15/h1-5,10,23H,6-9H2.
What are the key properties of (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 347.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51105832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).