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

C15H24N2O2S — CID 167931452

IUPACtert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
SMILESCc1cscc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2S/c1-11-9-20-10-13(11)16-12-5-7-17(8-6-12)14(18)19-15(2,3)4/h9-10,12,16H,5-8H2,1-4H3
InChIKeyYIRFUUSWEMLOTQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.87
Rot. Bonds2

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

tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate (PubChem CID 167931452) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
PubChem CID167931452
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
SMILESCc1cscc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2S/c1-11-9-20-10-13(11)16-12-5-7-17(8-6-12)14(18)19-15(2,3)4/h9-10,12,16H,5-8H2,1-4H3
InChIKeyYIRFUUSWEMLOTQ-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
tert-butyl 4-(2,4-dimethylanilino)azepane-1-carboxylate
CID 103980311
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-(2-chloro-4-methylanilino)piperidine-1-carboxylate
CID 103618172
tert-butyl 4-[(3,6-dichloropyridazin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 144627218
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-(5-bromo-3-methoxycarbonyl-2-methylanilino)piperidine-1-carboxylate
CID 70872672
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
CID 71623656
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020
tert-butyl 4-(4-amino-2-fluoroanilino)piperidine-1-carboxylate
CID 68671753
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate (CID 167931452) is tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate is Cc1cscc1NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is YIRFUUSWEMLOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-9-20-10-13(11)16-12-5-7-17(8-6-12)14(18)19-15(2,3)4/h9-10,12,16H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 167931452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).