(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone

C12H15FN2O — CID 143331282

IUPAC(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C12H15FN2O/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-11(13)7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyWRFSRGVHBCLBGU-VIFPVBQESA-N
MW222.26 g/mol
LogP2.09
Rot. Bonds1

About (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone

(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 143331282) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID143331282
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2ccnc(F)c2)C1
InChIInChI=1S/C12H15FN2O/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-11(13)7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyWRFSRGVHBCLBGU-VIFPVBQESA-N
XLogP2.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398
(3,4-dimethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 79036479
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 143331282) is (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)c2ccnc(F)c2)C1.
What is the InChIKey of (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is WRFSRGVHBCLBGU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-11(13)7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 222.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 143331282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).