(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C15H20FN3O — CID 115497554

IUPAC(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H20FN3O/c16-14-5-3-4-13(17-14)15(20)19-10-6-12(7-11-19)18-8-1-2-9-18/h3-5,12H,1-2,6-11H2
InChIKeyYKSUMOVKZFBVTA-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.92
Rot. Bonds2

About (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 115497554) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID115497554
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H20FN3O/c16-14-5-3-4-13(17-14)15(20)19-10-6-12(7-11-19)18-8-1-2-9-18/h3-5,12H,1-2,6-11H2
InChIKeyYKSUMOVKZFBVTA-UHFFFAOYSA-N
XLogP1.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.92
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
(6-fluoro-2-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 113323648
(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119999249
[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115497426
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
(1,1-dioxo-1,4-thiazepan-4-yl)-(6-fluoro-2-pyridinyl)methanone
CID 113342783
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
N-[1-(6-fluoropyridine-2-carbonyl)piperidin-4-yl]butanamide
CID 115497488
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 115497554) is (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cccc(F)n1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is YKSUMOVKZFBVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-14-5-3-4-13(17-14)15(20)19-10-6-12(7-11-19)18-8-1-2-9-18/h3-5,12H,1-2,6-11H2.
What are the key properties of (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 277.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 115497554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).