tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate

C15H24N2O2S — CID 112544558

IUPACtert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CN(c2ccsc2)C1
InChIInChI=1S/C15H24N2O2S/c1-11-7-12(16-14(18)19-15(2,3)4)9-17(8-11)13-5-6-20-10-13/h5-6,10-12H,7-9H2,1-4H3,(H,16,18)
InChIKeyAGERLVVSHJWTGS-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate

tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate (PubChem CID 112544558) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate
PubChem CID112544558
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CN(c2ccsc2)C1
InChIInChI=1S/C15H24N2O2S/c1-11-7-12(16-14(18)19-15(2,3)4)9-17(8-11)13-5-6-20-10-13/h5-6,10-12H,7-9H2,1-4H3,(H,16,18)
InChIKeyAGERLVVSHJWTGS-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)acetamide
CID 112541870
methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate
CID 112543285
tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
CID 112544579
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl N-[1-(8-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129276893
tert-butyl N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]carbamate
CID 129240611
tert-butyl N-[(3R,5S)-1-(8-formylquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129241241
tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
CID 146316866
tert-butyl N-[4-[(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 144796887
tert-butyl N-[1-[5-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-chloro-3-pyridinyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 58865216
tert-butyl N-[(3S,5R)-1-(3-isothiocyanato-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 131734135
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate (CID 112544558) is tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate is CC1CC(NC(=O)OC(C)(C)C)CN(c2ccsc2)C1.
What is the InChIKey of tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate?
The InChIKey is AGERLVVSHJWTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-7-12(16-14(18)19-15(2,3)4)9-17(8-11)13-5-6-20-10-13/h5-6,10-12H,7-9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate?
tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate has a molecular weight of 296.44 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112544558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).