tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate

C17H26N2O3S — CID 97166798

IUPACtert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate
SMILESCc1ccsc1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O3S/c1-12-8-10-23-14(12)15(20)19-9-6-7-13(11-19)18(5)16(21)22-17(2,3)4/h8,10,13H,6-7,9,11H2,1-5H3/t13-/m1/s1
InChIKeyXVVGCPZSWGWCCZ-CYBMUJFWSA-N
MW338.47 g/mol
LogP3.53
Rot. Bonds2

About tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate (PubChem CID 97166798) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate
PubChem CID97166798
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate
SMILESCc1ccsc1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H26N2O3S/c1-12-8-10-23-14(12)15(20)19-9-6-7-13(11-19)18(5)16(21)22-17(2,3)4/h8,10,13H,6-7,9,11H2,1-5H3/t13-/m1/s1
InChIKeyXVVGCPZSWGWCCZ-CYBMUJFWSA-N
XLogP3.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S)-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]-N-methylcarbamate
CID 97166802
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
tert-butyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-methylcarbamate
CID 71646916
tert-butyl N-methyl-N-[1-(3-methylfuran-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71862106
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
tert-butyl N-[1-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-3-yl]-N-methylcarbamate
CID 75466771
tert-butyl 4-[methyl-(3-methylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 66519861
tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate
CID 71647043
tert-butyl N-[1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidin-3-yl]-N-methylcarbamate
CID 176731103
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]carbamate
CID 97167013
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate (CID 97166798) is tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate is Cc1ccsc1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is XVVGCPZSWGWCCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12-8-10-23-14(12)15(20)19-9-6-7-13(11-19)18(5)16(21)22-17(2,3)4/h8,10,13H,6-7,9,11H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 338.47 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 97166798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).