tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate

C15H21BrN2O3S — CID 55972015

IUPACtert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H21BrN2O3S/c1-15(2,3)21-14(20)17-10-6-8-18(9-7-10)13(19)11-4-5-12(16)22-11/h4-5,10H,6-9H2,1-3H3,(H,17,20)
InChIKeyYUKJUZZMFACAGG-UHFFFAOYSA-N
MW389.32 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate (PubChem CID 55972015) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
PubChem CID55972015
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Nametert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C15H21BrN2O3S/c1-15(2,3)21-14(20)17-10-6-8-18(9-7-10)13(19)11-4-5-12(16)22-11/h4-5,10H,6-9H2,1-3H3,(H,17,20)
InChIKeyYUKJUZZMFACAGG-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidin-4-yl]carbamate
CID 91950503
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate
CID 71632034
tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 155282262

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate (CID 55972015) is tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is YUKJUZZMFACAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-15(2,3)21-14(20)17-10-6-8-18(9-7-10)13(19)11-4-5-12(16)22-11/h4-5,10H,6-9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 389.32 g/mol, XLogP of 3.64, 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-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55972015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).