[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C17H20F4N2O — CID 165432887

IUPAC[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(F)cc2F)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H20F4N2O/c18-14-2-1-12(15(19)9-14)10-22-6-3-13(11-22)16(24)23-7-4-17(20,21)5-8-23/h1-2,9,13H,3-8,10-11H2
InChIKeyYLNCNFCLGCCFHC-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.04
Rot. Bonds3

About [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 165432887) has the molecular formula C17H20F4N2O and a molecular weight of 344.35 g/mol. Its IUPAC name is [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID165432887
Molecular FormulaC17H20F4N2O
Molecular Weight344.35 g/mol
Exact Mass344.15
IUPAC Name[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(F)cc2F)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H20F4N2O/c18-14-2-1-12(15(19)9-14)10-22-6-3-13(11-22)16(24)23-7-4-17(20,21)5-8-23/h1-2,9,13H,3-8,10-11H2
InChIKeyYLNCNFCLGCCFHC-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
CID 165432913
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 165434146
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600818
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155976184
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
methyl 1-[(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730829
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 165432887) is [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCN(Cc2ccc(F)cc2F)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is YLNCNFCLGCCFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O/c18-14-2-1-12(15(19)9-14)10-22-6-3-13(11-22)16(24)23-7-4-17(20,21)5-8-23/h1-2,9,13H,3-8,10-11H2.
What are the key properties of [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 344.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 165432887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).