N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide

C17H24F2N3O2+ — CID 8540767

IUPACN-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H23F2N3O2/c1-11-5-12(2)9-22(8-11)10-17(24)20-7-16(23)21-13-3-4-14(18)15(19)6-13/h3-4,6,11-12H,5,7-10H2,1-2H3,(H,20,24)(H,21,23)/p+1/t11-,12-/m1/s1
InChIKeyYEKCLHPYLSZDCN-VXGBXAGGSA-O
MW340.39 g/mol
LogP0.58
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide (PubChem CID 8540767) has the molecular formula C17H24F2N3O2+ and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
PubChem CID8540767
Molecular FormulaC17H24F2N3O2+
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H23F2N3O2/c1-11-5-12(2)9-22(8-11)10-17(24)20-7-16(23)21-13-3-4-14(18)15(19)6-13/h3-4,6,11-12H,5,7-10H2,1-2H3,(H,20,24)(H,21,23)/p+1/t11-,12-/m1/s1
InChIKeyYEKCLHPYLSZDCN-VXGBXAGGSA-O
XLogP0.58
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide with MolForge

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929915
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930273
2-(azocan-1-ium-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 2655283
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 18087279
N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
CID 8834778
N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930223
N-[4-(difluoromethoxy)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930997
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide (CID 8540767) is N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide is C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
The InChIKey is YEKCLHPYLSZDCN-VXGBXAGGSA-O. The full InChI is InChI=1S/C17H23F2N3O2/c1-11-5-12(2)9-22(8-11)10-17(24)20-7-16(23)21-13-3-4-14(18)15(19)6-13/h3-4,6,11-12H,5,7-10H2,1-2H3,(H,20,24)(H,21,23)/p+1/t11-,12-/m1/s1.
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide has a molecular weight of 340.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8540767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).