tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate

C17H24N2O3 — CID 124562496

IUPACtert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-11-7-10-14(12-19)18-15(20)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyVAULERMLVIMBCU-CQSZACIVSA-N
MW304.39 g/mol
LogP2.82
Rot. Bonds2

About tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate

tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate (PubChem CID 124562496) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
PubChem CID124562496
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-11-7-10-14(12-19)18-15(20)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyVAULERMLVIMBCU-CQSZACIVSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(3-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 122598194
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-[[4-(2-oxo-1H-pyridin-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 69132512
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)piperidine-1-carboxylate
CID 71630800
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl 3-[[2-[3-(trifluoromethyl)indazol-1-yl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176791007
tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 168974665
tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate
CID 175261637

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate (CID 124562496) is tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate?
The InChIKey is VAULERMLVIMBCU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-11-7-10-14(12-19)18-15(20)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate?
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate is sourced from PubChem (CID 124562496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).