2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide

C14H18F2N2O — CID 124517154

IUPAC2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
SMILESC[C@@H]1NCCC[C@H]1NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-9-12(6-3-7-17-9)18-13(19)8-10-4-2-5-11(15)14(10)16/h2,4-5,9,12,17H,3,6-8H2,1H3,(H,18,19)/t9-,12+/m0/s1
InChIKeyHGNDBGXPLWRIFQ-JOYOIKCWSA-N
MW268.31 g/mol
LogP1.76
Rot. Bonds3

About 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide

2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide (PubChem CID 124517154) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
PubChem CID124517154
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
SMILESC[C@@H]1NCCC[C@H]1NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-9-12(6-3-7-17-9)18-13(19)8-10-4-2-5-11(15)14(10)16/h2,4-5,9,12,17H,3,6-8H2,1H3,(H,18,19)/t9-,12+/m0/s1
InChIKeyHGNDBGXPLWRIFQ-JOYOIKCWSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
2-(3-fluorophenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 120573514
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120577001
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide (CID 124517154) is 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide is C[C@@H]1NCCC[C@H]1NC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide?
The InChIKey is HGNDBGXPLWRIFQ-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-12(6-3-7-17-9)18-13(19)8-10-4-2-5-11(15)14(10)16/h2,4-5,9,12,17H,3,6-8H2,1H3,(H,18,19)/t9-,12+/m0/s1.
What are the key properties of 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide?
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide has a molecular weight of 268.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 124517154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).