tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate

C18H25BrN2O3 — CID 55868751

IUPACtert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H25BrN2O3/c1-18(2,3)24-17(23)20-15-8-10-21(11-9-15)16(22)12-13-4-6-14(19)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,20,23)
InChIKeyKPJQNCGFHVTPJS-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.51
Rot. Bonds3

About tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate (PubChem CID 55868751) has the molecular formula C18H25BrN2O3 and a molecular weight of 397.31 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
PubChem CID55868751
Molecular FormulaC18H25BrN2O3
Molecular Weight397.31 g/mol
Exact Mass396.10
IUPAC Nametert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H25BrN2O3/c1-18(2,3)24-17(23)20-15-8-10-21(11-9-15)16(22)12-13-4-6-14(19)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,20,23)
InChIKeyKPJQNCGFHVTPJS-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[4-[[2-(4-bromophenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916782
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamic acid
CID 154997701
tert-butyl N-[(3R)-1-[2-(3-bromo-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]carbamate
CID 176516114
tert-butyl N-[1-[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111978224
tert-butyl N-[1-[2-(3-ethenyl-4-methoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 176516177
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 55868243
tert-butyl N-[1-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]carbamate
CID 55971768
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate
CID 172648323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate (CID 55868751) is tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate?
The InChIKey is KPJQNCGFHVTPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3/c1-18(2,3)24-17(23)20-15-8-10-21(11-9-15)16(22)12-13-4-6-14(19)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate has a molecular weight of 397.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55868751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).