(2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone

C19H20FN3O — CID 138003476

IUPAC(2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccnc1C1CC1)N1CCC(F)(c2ccccn2)CC1
InChIInChI=1S/C19H20FN3O/c20-19(16-5-1-2-10-21-16)8-12-23(13-9-19)18(24)15-4-3-11-22-17(15)14-6-7-14/h1-5,10-11,14H,6-9,12-13H2
InChIKeyNXBJSVCOTQQQAZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.45
Rot. Bonds3

About (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone

(2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 138003476) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID138003476
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name(2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccnc1C1CC1)N1CCC(F)(c2ccccn2)CC1
InChIInChI=1S/C19H20FN3O/c20-19(16-5-1-2-10-21-16)8-12-23(13-9-19)18(24)15-4-3-11-22-17(15)14-6-7-14/h1-5,10-11,14H,6-9,12-13H2
InChIKeyNXBJSVCOTQQQAZ-UHFFFAOYSA-N
XLogP3.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one
CID 127881306
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668261
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-(2-piperidin-4-yl-3-pyridinyl)methanone
CID 166313931
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 95800988
(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
CID 128535298
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
CID 56914850
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-fluoro-3-pyridinyl)methanone
CID 114037863
[3-(2-fluorophenyl)phenyl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 131896204

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone (CID 138003476) is (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone is O=C(c1cccnc1C1CC1)N1CCC(F)(c2ccccn2)CC1.
What is the InChIKey of (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is NXBJSVCOTQQQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-19(16-5-1-2-10-21-16)8-12-23(13-9-19)18(24)15-4-3-11-22-17(15)14-6-7-14/h1-5,10-11,14H,6-9,12-13H2.
What are the key properties of (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
(2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-3-pyridinyl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 138003476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).