1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C17H20FN3OS — CID 25447576

IUPAC1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cs1
InChIInChI=1S/C17H20FN3OS/c1-12-19-16(11-23-12)9-17(22)21-7-3-6-15(10-21)20-14-5-2-4-13(18)8-14/h2,4-5,8,11,15,20H,3,6-7,9-10H2,1H3/t15-/m1/s1
InChIKeyHNWOUNHNONXPMD-OAHLLOKOSA-N
MW333.43 g/mol
LogP3.24
Rot. Bonds4

About 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 25447576) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID25447576
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cs1
InChIInChI=1S/C17H20FN3OS/c1-12-19-16(11-23-12)9-17(22)21-7-3-6-15(10-21)20-14-5-2-4-13(18)8-14/h2,4-5,8,11,15,20H,3,6-7,9-10H2,1H3/t15-/m1/s1
InChIKeyHNWOUNHNONXPMD-OAHLLOKOSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45222417
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
1-[(3R)-3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 92617650
1-(3-fluorophenyl)-3-[[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methyl]urea
CID 56502656
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 95713603
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182
1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 67257420
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
(3S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 94176937
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 25447576) is 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cs1.
What is the InChIKey of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is HNWOUNHNONXPMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-12-19-16(11-23-12)9-17(22)21-7-3-6-15(10-21)20-14-5-2-4-13(18)8-14/h2,4-5,8,11,15,20H,3,6-7,9-10H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 333.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 25447576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).