tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate

C16H21BrN2O3 — CID 129226585

IUPACtert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)18-13-5-4-10-19(14(13)20)12-8-6-11(17)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyVKFHTZDYDPADDN-CYBMUJFWSA-N
MW369.26 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate (PubChem CID 129226585) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
PubChem CID129226585
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Nametert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)18-13-5-4-10-19(14(13)20)12-8-6-11(17)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyVKFHTZDYDPADDN-CYBMUJFWSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-2-oxopiperidin-3-yl]carbamate
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tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
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tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate
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tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate
CID 175007211
tert-butyl N-[(11S)-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamate
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tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(cyclohexanecarbonyl)-2-oxoazepan-3-yl]carbamate
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tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
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N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413014
tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate
CID 15437365
tert-butyl N-[[(3S)-1-(2,3-dihydro-1H-inden-5-yl)-2-oxopyrrolidin-3-yl]amino]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate (CID 129226585) is tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Br)cc2)C1=O.
What is the InChIKey of tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate?
The InChIKey is VKFHTZDYDPADDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)18-13-5-4-10-19(14(13)20)12-8-6-11(17)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate has a molecular weight of 369.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 129226585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).