tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate

C16H24N2O4S — CID 22914655

IUPACtert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)c1sccc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(20)18-8-5-11(6-9-18)17-12-7-10-23-13(12)14(19)21-4/h7,10-11,17H,5-6,8-9H2,1-4H3
InChIKeyDVJVKIFHUUBGLR-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate (PubChem CID 22914655) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate
PubChem CID22914655
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nametert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate
SMILESCOC(=O)c1sccc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)22-15(20)18-8-5-11(6-9-18)17-12-7-10-23-13(12)14(19)21-4/h7,10-11,17H,5-6,8-9H2,1-4H3
InChIKeyDVJVKIFHUUBGLR-UHFFFAOYSA-N
XLogP3.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)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 4610946
CID 4610946
CID 896453
CID 896453
CID 4610944
CID 4610944
CID 9550246
CID 9550246
CID 9551121
CID 9551121
CID 9551122
CID 9551122
CID 16193787
CID 16193787
CID 155522867
CID 155522867
CID 2809627
CID 2809627
CID 6621367
CID 6621367
CID 16189699
CID 16189699
CID 18925408
CID 18925408

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate (CID 22914655) is tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate is COC(=O)c1sccc1NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is DVJVKIFHUUBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(20)18-8-5-11(6-9-18)17-12-7-10-23-13(12)14(19)21-4/h7,10-11,17H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 22914655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).