[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone

C17H17ClFN3O — CID 84585423

IUPAC[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClFN3O/c18-14-3-1-2-4-15(14)21-13-7-9-22(10-8-13)17(23)12-5-6-16(19)20-11-12/h1-6,11,13,21H,7-10H2
InChIKeyJGWYXEOEIHOPGD-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.59
Rot. Bonds3

About [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone

[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone (PubChem CID 84585423) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
PubChem CID84585423
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClFN3O/c18-14-3-1-2-4-15(14)21-13-7-9-22(10-8-13)17(23)12-5-6-16(19)20-11-12/h1-6,11,13,21H,7-10H2
InChIKeyJGWYXEOEIHOPGD-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.59
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

methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
CID 63973141
(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998533
[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 52836323
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 3950968
[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51104236
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 166403271
[4-(3-chloro-2-methylanilino)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 3930106
azepan-1-yl-[2-(2-chloroanilino)pyrimidin-5-yl]methanone
CID 109264876
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
ethyl 4-[6-(2-chloroanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160333

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone?
The IUPAC name of [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone (CID 84585423) is [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone is O=C(c1ccc(F)nc1)N1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone?
The InChIKey is JGWYXEOEIHOPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-14-3-1-2-4-15(14)21-13-7-9-22(10-8-13)17(23)12-5-6-16(19)20-11-12/h1-6,11,13,21H,7-10H2.
What are the key properties of [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone?
[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone has a molecular weight of 333.79 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 84585423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).