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

C15H22FN3O — CID 115497426

IUPAC[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-18(4-2)12-8-10-19(11-9-12)15(20)13-6-5-7-14(16)17-13/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyCCXSPWMFHAHHEH-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.17
Rot. Bonds4

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

[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone (PubChem CID 115497426) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
PubChem CID115497426
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-18(4-2)12-8-10-19(11-9-12)15(20)13-6-5-7-14(16)17-13/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyCCXSPWMFHAHHEH-UHFFFAOYSA-N
XLogP2.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 115496754
N-[1-(6-fluoropyridine-2-carbonyl)piperidin-4-yl]butanamide
CID 115497488
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
(6-fluoro-2-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 113323648
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 83174368
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59337801
(1,1-dioxo-1,4-thiazepan-4-yl)-(6-fluoro-2-pyridinyl)methanone
CID 113342783

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone (CID 115497426) is [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone is CCN(CC)C1CCN(C(=O)c2cccc(F)n2)CC1.
What is the InChIKey of [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is CCXSPWMFHAHHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-18(4-2)12-8-10-19(11-9-12)15(20)13-6-5-7-14(16)17-13/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone?
[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 279.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 115497426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).