tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate

C15H26F2N2O4 — CID 153362094

IUPACtert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)C(F)(F)CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26F2N2O4/c1-5-22-12(20)15(16,17)10-18-11-6-8-19(9-7-11)13(21)23-14(2,3)4/h11,18H,5-10H2,1-4H3
InChIKeyLOCOFILWFKQAJV-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate (PubChem CID 153362094) has the molecular formula C15H26F2N2O4 and a molecular weight of 336.38 g/mol. Its IUPAC name is tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate
PubChem CID153362094
Molecular FormulaC15H26F2N2O4
Molecular Weight336.38 g/mol
Exact Mass336.19
IUPAC Nametert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)C(F)(F)CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26F2N2O4/c1-5-22-12(20)15(16,17)10-18-11-6-8-19(9-7-11)13(21)23-14(2,3)4/h11,18H,5-10H2,1-4H3
InChIKeyLOCOFILWFKQAJV-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate 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

CID 39870957
CID 39870957
CID 57436998
CID 57436998
CID 45158821
CID 45158821
CID 21993671
CID 21993671
CID 71629851
CID 71629851
CID 47003393
CID 47003393
CID 59983214
CID 59983214
CID 63226311
CID 63226311
CID 89480896
CID 89480896
CID 121521898
CID 121521898
CID 129968619
CID 129968619
CID 129968628
CID 129968628

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate (CID 153362094) is tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate is CCOC(=O)C(F)(F)CNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate?
The InChIKey is LOCOFILWFKQAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O4/c1-5-22-12(20)15(16,17)10-18-11-6-8-19(9-7-11)13(21)23-14(2,3)4/h11,18H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate has a molecular weight of 336.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 153362094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).