(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

C16H21FN2O — CID 60978270

IUPAC(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCCC1C1CCNCC1
InChIInChI=1S/C16H21FN2O/c17-14-5-2-1-4-13(14)16(20)19-11-3-6-15(19)12-7-9-18-10-8-12/h1-2,4-5,12,15,18H,3,6-11H2
InChIKeyVOLBEKAFILMNSK-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.43
Rot. Bonds2

About (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone

(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 60978270) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID60978270
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCCC1C1CCNCC1
InChIInChI=1S/C16H21FN2O/c17-14-5-2-1-4-13(14)16(20)19-11-3-6-15(19)12-7-9-18-10-8-12/h1-2,4-5,12,15,18H,3,6-11H2
InChIKeyVOLBEKAFILMNSK-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-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

(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2-fluorophenyl)methanone
CID 43594596
(2,6-dihydroxyphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 107688521
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82243404
(2,4-dimethylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979607
(2-fluorophenyl)-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79537046
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62659921
(2-cyclopentylpyrrolidin-1-yl)-[3-fluoro-2-(methylamino)phenyl]methanone
CID 62660514
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
CID 51934783
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone (CID 60978270) is (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccccc1F)N1CCCC1C1CCNCC1.
What is the InChIKey of (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is VOLBEKAFILMNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-5-2-1-4-13(14)16(20)19-11-3-6-15(19)12-7-9-18-10-8-12/h1-2,4-5,12,15,18H,3,6-11H2.
What are the key properties of (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone?
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 276.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60978270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).