methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate

C11H18F2N2O3 — CID 83992984

IUPACmethyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(F)F)CN(C(C)=O)C1
InChIInChI=1S/C11H18F2N2O3/c1-7(16)15-5-8(11(17)18-2)3-9(6-15)14-4-10(12)13/h8-10,14H,3-6H2,1-2H3
InChIKeyBXJMXSMBRPKWTC-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.25
Rot. Bonds4

About methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate

methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate (PubChem CID 83992984) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
PubChem CID83992984
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Namemethyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(F)F)CN(C(C)=O)C1
InChIInChI=1S/C11H18F2N2O3/c1-7(16)15-5-8(11(17)18-2)3-9(6-15)14-4-10(12)13/h8-10,14H,3-6H2,1-2H3
InChIKeyBXJMXSMBRPKWTC-UHFFFAOYSA-N
XLogP0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
CID 83994391
5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylic acid
CID 83993007
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994584
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate (CID 83992984) is methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate is COC(=O)C1CC(NCC(F)F)CN(C(C)=O)C1.
What is the InChIKey of methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
The InChIKey is BXJMXSMBRPKWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-7(16)15-5-8(11(17)18-2)3-9(6-15)14-4-10(12)13/h8-10,14H,3-6H2,1-2H3.
What are the key properties of methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate?
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate has a molecular weight of 264.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83992984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).