1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone

C12H16FN3O — CID 103825805

IUPAC1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(F)nc2)CC1
InChIInChI=1S/C12H16FN3O/c1-9(17)16-6-4-10(5-7-16)15-11-2-3-12(13)14-8-11/h2-3,8,10,15H,4-7H2,1H3
InChIKeySBDBREDCIDXYTL-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.64
Rot. Bonds2

About 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone

1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone (PubChem CID 103825805) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
PubChem CID103825805
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(F)nc2)CC1
InChIInChI=1S/C12H16FN3O/c1-9(17)16-6-4-10(5-7-16)15-11-2-3-12(13)14-8-11/h2-3,8,10,15H,4-7H2,1H3
InChIKeySBDBREDCIDXYTL-UHFFFAOYSA-N
XLogP1.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
1-[4-(2,3,4,5,6-pentafluoroanilino)piperidin-1-yl]ethanone
CID 78911633
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
[4-(4-fluoroanilino)piperidin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110014469
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone (CID 103825805) is 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccc(F)nc2)CC1.
What is the InChIKey of 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone?
The InChIKey is SBDBREDCIDXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-9(17)16-6-4-10(5-7-16)15-11-2-3-12(13)14-8-11/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone?
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone has a molecular weight of 237.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 103825805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).