(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone

C16H20F2N2O — CID 60978149

IUPAC(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC1C1CCCNC1
InChIInChI=1S/C16H20F2N2O/c17-12-5-6-13(14(18)9-12)16(21)20-8-2-4-15(20)11-3-1-7-19-10-11/h5-6,9,11,15,19H,1-4,7-8,10H2
InChIKeyUIKNJKVKUQLHJI-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.57
Rot. Bonds2

About (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone

(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 60978149) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
PubChem CID60978149
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC1C1CCCNC1
InChIInChI=1S/C16H20F2N2O/c17-12-5-6-13(14(18)9-12)16(21)20-8-2-4-15(20)11-3-1-7-19-10-11/h5-6,9,11,15,19H,1-4,7-8,10H2
InChIKeyUIKNJKVKUQLHJI-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,4-difluorophenyl)methanone
CID 43594616
(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539007
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(2-fluoro-4-nitrophenyl)methanone
CID 102679493
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-bromo-2-fluorophenyl)methanone
CID 65320678
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015770
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(4-hydroxy-3-methylphenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 107675736
1-(2,4-difluorobenzoyl)-N-piperidin-3-yl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119428559
N-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-2,4-difluorobenzamide
CID 58707971
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone (CID 60978149) is (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(F)cc1F)N1CCCC1C1CCCNC1.
What is the InChIKey of (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is UIKNJKVKUQLHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-12-5-6-13(14(18)9-12)16(21)20-8-2-4-15(20)11-3-1-7-19-10-11/h5-6,9,11,15,19H,1-4,7-8,10H2.
What are the key properties of (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 294.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60978149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).