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

C17H26N2O3S — CID 97174280

IUPACtert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)c1cccs1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-11-13-7-4-5-9-19(13)12-14(20)15-8-6-10-23-15/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyIKKZDKUMCRQYSM-CYBMUJFWSA-N
MW338.47 g/mol
LogP3.31
Rot. Bonds5

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

tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate (PubChem CID 97174280) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
PubChem CID97174280
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)c1cccs1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-11-13-7-4-5-9-19(13)12-14(20)15-8-6-10-23-15/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyIKKZDKUMCRQYSM-CYBMUJFWSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 71632253
tert-butyl N-[[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]methyl]carbamate
CID 97174464
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-3-yl]methyl]carbamate
CID 71632467
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[[(2R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-2-yl]methyl]carbamate
CID 97175621
tert-butyl N-[[(2R)-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97174574
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
tert-butyl 2-(2-oxo-2-thiophen-2-ylethyl)azepane-1-carboxylate
CID 102567607
tert-butyl N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]methyl]carbamate
CID 71632263
tert-butyl (2R)-2-[(thiophene-2-carbonylamino)methyl]pyrrolidine-1-carboxylate
CID 97172673
tert-butyl (2S)-2-[(thiophene-2-carbonylamino)methyl]pyrrolidine-1-carboxylate
CID 97172674

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate (CID 97174280) is tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCCCN1CC(=O)c1cccs1.
What is the InChIKey of tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate?
The InChIKey is IKKZDKUMCRQYSM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)22-16(21)18-11-13-7-4-5-9-19(13)12-14(20)15-8-6-10-23-15/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate has a molecular weight of 338.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 97174280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).