1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid

C12H21F2N3O3 — CID 83993434

IUPAC1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NCC(F)F)CC(C(=O)O)C1
InChIInChI=1S/C12H21F2N3O3/c1-8(18)15-2-3-17-6-9(12(19)20)4-10(7-17)16-5-11(13)14/h9-11,16H,2-7H2,1H3,(H,15,18)(H,19,20)
InChIKeyZSQOYEDOKIDRNH-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.25
Rot. Bonds7

About 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid

1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83993434) has the molecular formula C12H21F2N3O3 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83993434
Molecular FormulaC12H21F2N3O3
Molecular Weight293.31 g/mol
Exact Mass293.16
IUPAC Name1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NCC(F)F)CC(C(=O)O)C1
InChIInChI=1S/C12H21F2N3O3/c1-8(18)15-2-3-17-6-9(12(19)20)4-10(7-17)16-5-11(13)14/h9-11,16H,2-7H2,1H3,(H,15,18)(H,19,20)
InChIKeyZSQOYEDOKIDRNH-UHFFFAOYSA-N
XLogP-0.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid
CID 83996201
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylic acid
CID 83993007
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
N-[2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethyl]acetamide
CID 83994814
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
N-[2-[3-methyl-5-(methylamino)piperidin-1-yl]ethyl]acetamide
CID 83990134
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
CID 106672120
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid (CID 83993434) is 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is CC(=O)NCCN1CC(NCC(F)F)CC(C(=O)O)C1.
What is the InChIKey of 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is ZSQOYEDOKIDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O3/c1-8(18)15-2-3-17-6-9(12(19)20)4-10(7-17)16-5-11(13)14/h9-11,16H,2-7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid?
1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 293.31 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83993434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).