(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone

C17H17ClFN3O — CID 71998533

IUPAC(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C17H17ClFN3O/c18-16-11-12(5-8-20-16)17(23)22-9-6-13(7-10-22)21-15-4-2-1-3-14(15)19/h1-5,8,11,13,21H,6-7,9-10H2
InChIKeyZQIQWVHJECKPOT-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.59
Rot. Bonds3

About (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone

(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 71998533) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
PubChem CID71998533
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C17H17ClFN3O/c18-16-11-12(5-8-20-16)17(23)22-9-6-13(7-10-22)21-15-4-2-1-3-14(15)19/h1-5,8,11,13,21H,6-7,9-10H2
InChIKeyZQIQWVHJECKPOT-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

(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
(2-chloro-4-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38120168
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 154758654
[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 84585423
4-chloro-N-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 127219140
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide
CID 133340969
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(2-chloro-4-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56803648
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone (CID 71998533) is (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone is O=C(c1ccnc(Cl)c1)N1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is ZQIQWVHJECKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-16-11-12(5-8-20-16)17(23)22-9-6-13(7-10-22)21-15-4-2-1-3-14(15)19/h1-5,8,11,13,21H,6-7,9-10H2.
What are the key properties of (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]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 (2-chloro-4-pyridinyl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 71998533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).