1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H22FN3O — CID 172893481

IUPAC1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Nc2ncccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-15(2,3)14(20)19-9-6-11(7-10-19)18-13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyODSKSXQRJLGZEL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.67
Rot. Bonds2

About 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 172893481) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID172893481
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(Nc2ncccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-15(2,3)14(20)19-9-6-11(7-10-19)18-13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyODSKSXQRJLGZEL-UHFFFAOYSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluoro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 154499566
[1-[(3-fluoro-2-pyridinyl)carbamoyl]piperidin-4-yl]carbamic acid
CID 156534176
3-fluoro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 62733989
tert-butyl (3S)-3-[[(3-fluoro-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99857975
methyl 3-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-4-carboxylate
CID 156518071
1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154750878
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110102478
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
CID 130949037
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 172893481) is 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(Nc2ncccc2F)CC1.
What is the InChIKey of 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ODSKSXQRJLGZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(2,3)14(20)19-9-6-11(7-10-19)18-13-12(16)5-4-8-17-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 279.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 172893481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).