[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C21H24FN3O3S — CID 95800993

IUPAC[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(C(=O)N2CCC(O)(c3cccnc3F)CC2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-16(3-1-9-23-18)21(28)7-12-25(13-8-21)19(26)15-5-10-24(11-6-15)20(27)17-4-2-14-29-17/h1-4,9,14-15,28H,5-8,10-13H2
InChIKeyRIAFVTVJCSZHGW-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.64
Rot. Bonds3

About [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 95800993) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID95800993
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(C(=O)N2CCC(O)(c3cccnc3F)CC2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-16(3-1-9-23-18)21(28)7-12-25(13-8-21)19(26)15-5-10-24(11-6-15)20(27)17-4-2-14-29-17/h1-4,9,14-15,28H,5-8,10-13H2
InChIKeyRIAFVTVJCSZHGW-UHFFFAOYSA-N
XLogP2.64
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 95800993) is [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is O=C(c1cccs1)N1CCC(C(=O)N2CCC(O)(c3cccnc3F)CC2)CC1.
What is the InChIKey of [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is RIAFVTVJCSZHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-18-16(3-1-9-23-18)21(28)7-12-25(13-8-21)19(26)15-5-10-24(11-6-15)20(27)17-4-2-14-29-17/h1-4,9,14-15,28H,5-8,10-13H2.
What are the key properties of [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 95800993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).