2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide

C13H17F2N3O — CID 22615440

IUPAC2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide
SMILESNC(=O)CNC1CCNC(c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N3O/c14-8-1-2-10(11(15)5-8)12-6-9(3-4-17-12)18-7-13(16)19/h1-2,5,9,12,17-18H,3-4,6-7H2,(H2,16,19)
InChIKeyXLTUHOORTOAGOX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.83
Rot. Bonds4

About 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide

2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide (PubChem CID 22615440) has the molecular formula C13H17F2N3O and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide
PubChem CID22615440
Molecular FormulaC13H17F2N3O
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide
SMILESNC(=O)CNC1CCNC(c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2N3O/c14-8-1-2-10(11(15)5-8)12-6-9(3-4-17-12)18-7-13(16)19/h1-2,5,9,12,17-18H,3-4,6-7H2,(H2,16,19)
InChIKeyXLTUHOORTOAGOX-UHFFFAOYSA-N
XLogP0.83
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N-(2,2-difluoroethyl)-2-(2,5-difluorophenyl)piperidin-4-amine
CID 165141945
butyl N-[(2R,4S)-2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 69217621
tert-butyl N-[2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 68534539
(2S)-3-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 118295399
2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid
CID 174656841
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
methyl 2-(2-fluorophenyl)piperidine-4-carboxylate
CID 105498960
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]amino]acetamide
CID 156815991
ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 165141938
tert-butyl N-[(2S,4R)-2-(2-fluoro-5-methylphenyl)piperidin-4-yl]carbamate
CID 176681990
3-(2,4-difluorophenyl)-2-methylpyrrolidine
CID 62354967
methyl 2-[(2S)-azetidin-2-yl]-5-fluorobenzoate
CID 131550925

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide (CID 22615440) is 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide is NC(=O)CNC1CCNC(c2ccc(F)cc2F)C1.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide?
The InChIKey is XLTUHOORTOAGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c14-8-1-2-10(11(15)5-8)12-6-9(3-4-17-12)18-7-13(16)19/h1-2,5,9,12,17-18H,3-4,6-7H2,(H2,16,19).
What are the key properties of 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide?
2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide has a molecular weight of 269.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 22615440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).