tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate

C19H31N3O3S — CID 10667563

IUPACtert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H](Cc1cccs1)C(=O)N(C)N1CCCCC1
InChIInChI=1S/C19H31N3O3S/c1-19(2,3)25-18(24)20(4)16(14-15-10-9-13-26-15)17(23)21(5)22-11-7-6-8-12-22/h9-10,13,16H,6-8,11-12,14H2,1-5H3/t16-/m1/s1
InChIKeyZDYKMHAEYIQAGY-MRXNPFEDSA-N
MW381.54 g/mol
LogP3.39
Rot. Bonds5

About tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate

tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate (PubChem CID 10667563) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
PubChem CID10667563
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Nametert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H](Cc1cccs1)C(=O)N(C)N1CCCCC1
InChIInChI=1S/C19H31N3O3S/c1-19(2,3)25-18(24)20(4)16(14-15-10-9-13-26-15)17(23)21(5)22-11-7-6-8-12-22/h9-10,13,16H,6-8,11-12,14H2,1-5H3/t16-/m1/s1
InChIKeyZDYKMHAEYIQAGY-MRXNPFEDSA-N
XLogP3.39
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate (CID 10667563) is tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@H](Cc1cccs1)C(=O)N(C)N1CCCCC1.
What is the InChIKey of tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
The InChIKey is ZDYKMHAEYIQAGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-19(2,3)25-18(24)20(4)16(14-15-10-9-13-26-15)17(23)21(5)22-11-7-6-8-12-22/h9-10,13,16H,6-8,11-12,14H2,1-5H3/t16-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate?
tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate has a molecular weight of 381.54 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2R)-1-[methyl(piperidin-1-yl)amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 10667563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).