tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate

C19H27BrN2O3 — CID 24515347

IUPACtert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H27BrN2O3/c1-13(14-7-9-16(20)10-8-14)21-17(23)15-6-5-11-22(12-15)18(24)25-19(2,3)4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,21,23)
InChIKeyCFHARFWHNPXPGG-UHFFFAOYSA-N
MW411.34 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate

tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 24515347) has the molecular formula C19H27BrN2O3 and a molecular weight of 411.34 g/mol. Its IUPAC name is tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID24515347
Molecular FormulaC19H27BrN2O3
Molecular Weight411.34 g/mol
Exact Mass410.12
IUPAC Nametert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H27BrN2O3/c1-13(14-7-9-16(20)10-8-14)21-17(23)15-6-5-11-22(12-15)18(24)25-19(2,3)4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,21,23)
InChIKeyCFHARFWHNPXPGG-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 25350437
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-(4-bromophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 112761911
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 84551294
tert-butyl 3-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 115636066
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
tert-butyl 4-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]carbamoyl]piperidine-1-carboxylate
CID 163259819

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate (CID 24515347) is tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate is CC(NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc1.
What is the InChIKey of tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is CFHARFWHNPXPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O3/c1-13(14-7-9-16(20)10-8-14)21-17(23)15-6-5-11-22(12-15)18(24)25-19(2,3)4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 411.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24515347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).