tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate

C21H25BrN2O3 — CID 171661894

IUPACtert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cccc3cccc(Br)c23)C1
InChIInChI=1S/C21H25BrN2O3/c1-21(2,3)27-20(26)23-15-9-6-12-24(13-15)19(25)16-10-4-7-14-8-5-11-17(22)18(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyVEYYDOGPOUYTPE-OAHLLOKOSA-N
MW433.35 g/mol
LogP4.73
Rot. Bonds2

About tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate (PubChem CID 171661894) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
PubChem CID171661894
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Nametert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cccc3cccc(Br)c23)C1
InChIInChI=1S/C21H25BrN2O3/c1-21(2,3)27-20(26)23-15-9-6-12-24(13-15)19(25)16-10-4-7-14-8-5-11-17(22)18(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyVEYYDOGPOUYTPE-OAHLLOKOSA-N
XLogP4.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[2-bromo-6-(trifluoromethoxy)benzoyl]piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(2-ethynyl-3-methylbenzoyl)piperidin-3-yl]carbamate
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tert-butyl N-[1-[3-(4-bromo-3-pyridinyl)-2-nitrobenzoyl]piperidin-3-yl]carbamate
CID 175096162
tert-butyl N-[(3S)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646626
tert-butyl N-[(3R)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646625
tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate
CID 171396759
tert-butyl N-[1-(3-ethynylbenzoyl)piperidin-3-yl]carbamate
CID 170459132
tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate
CID 170794976
tert-butyl N-[(3S)-1-(6-bromo-2-pyridinyl)piperidin-3-yl]carbamate
CID 86318359
tert-butyl N-[(3R)-1-(2-bromo-6-formylphenyl)piperidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate (CID 171661894) is tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cccc3cccc(Br)c23)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is VEYYDOGPOUYTPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-21(2,3)27-20(26)23-15-9-6-12-24(13-15)19(25)16-10-4-7-14-8-5-11-17(22)18(14)16/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 433.35 g/mol, XLogP of 4.73, 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-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 171661894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).