tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate

C15H24N2O2S — CID 112544264

IUPACtert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
SMILESCN1CC(NC(=O)OC(C)(C)C)CC(c2cccs2)C1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)16-12-8-11(9-17(4)10-12)13-6-5-7-20-13/h5-7,11-12H,8-10H2,1-4H3,(H,16,18)
InChIKeyNGPYTLJMBBSJNT-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate

tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate (PubChem CID 112544264) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
PubChem CID112544264
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
SMILESCN1CC(NC(=O)OC(C)(C)C)CC(c2cccs2)C1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)16-12-8-11(9-17(4)10-12)13-6-5-7-20-13/h5-7,11-12H,8-10H2,1-4H3,(H,16,18)
InChIKeyNGPYTLJMBBSJNT-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate 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

tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
CID 112544288
tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
CID 112544293
methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543340
methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
CID 170979091
ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543760
N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)acetamide
CID 112541749
1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992062
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
CID 112544487
tert-butyl N-[3-(1-thiophen-2-ylethylamino)cyclohexyl]carbamate
CID 103720059
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate (CID 112544264) is tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate is CN1CC(NC(=O)OC(C)(C)C)CC(c2cccs2)C1.
What is the InChIKey of tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The InChIKey is NGPYTLJMBBSJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)16-12-8-11(9-17(4)10-12)13-6-5-7-20-13/h5-7,11-12H,8-10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate has a molecular weight of 296.44 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112544264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).