tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate

C19H30N2O3S — CID 52500238

IUPACtert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate
SMILESCc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C19H30N2O3S/c1-12-11-16(25-14(12)3)17(22)21-10-8-7-9-15(21)13(2)20-18(23)24-19(4,5)6/h11,13,15H,7-10H2,1-6H3,(H,20,23)/t13-,15-/m1/s1
InChIKeyHPRZFBWHMFYTIF-UKRRQHHQSA-N
MW366.53 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate (PubChem CID 52500238) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate
PubChem CID52500238
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Nametert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate
SMILESCc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C19H30N2O3S/c1-12-11-16(25-14(12)3)17(22)21-10-8-7-9-15(21)13(2)20-18(23)24-19(4,5)6/h11,13,15H,7-10H2,1-6H3,(H,20,23)/t13-,15-/m1/s1
InChIKeyHPRZFBWHMFYTIF-UKRRQHHQSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-1-(4,5-dimethylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80999187
tert-butyl N-[1-[1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidin-2-yl]ethyl]carbamate
CID 47092142
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
tert-butyl (2R)-2-[(1R)-1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 97174920
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R)-1-phenylmethoxycarbonylpiperidin-2-yl]acetic acid
CID 93077883
tert-butyl (2R)-2-[(1S)-1-(ethylamino)ethyl]piperidine-1-carboxylate
CID 97177417
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 55169920
[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 79989780
N-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 86857648
3-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]-4-oxo-2,2-diphenylpentanoic acid
CID 175263182
tert-butyl N-[(1R)-1-[(2S)-1-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-2-yl]ethyl]carbamate
CID 52501971
tert-butyl N-[1-[1-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]piperidin-2-yl]ethyl]carbamate
CID 47092388

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate (CID 52500238) is tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate is Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)sc1C.
What is the InChIKey of tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
The InChIKey is HPRZFBWHMFYTIF-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-12-11-16(25-14(12)3)17(22)21-10-8-7-9-15(21)13(2)20-18(23)24-19(4,5)6/h11,13,15H,7-10H2,1-6H3,(H,20,23)/t13-,15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate has a molecular weight of 366.53 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(2R)-1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 52500238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).