tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate

C17H24N2O4 — CID 11045432

IUPACtert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H](CO)c2ccccc2)C(=O)C1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-9-10-19(15(21)11-18)14(12-20)13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyRFYUKWWAOBMRHZ-AWEZNQCLSA-N
MW320.39 g/mol
LogP1.80
Rot. Bonds3

About tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate

tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate (PubChem CID 11045432) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate
PubChem CID11045432
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nametert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H](CO)c2ccccc2)C(=O)C1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-9-10-19(15(21)11-18)14(12-20)13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyRFYUKWWAOBMRHZ-AWEZNQCLSA-N
XLogP1.80
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepine-1-carboxylate
CID 11463195
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CID 142661174
tert-butyl 3-(2-hydroxy-1-phenylethyl)-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 59415022
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
CID 51623312
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
sodium;tert-butyl 3-oxo-4-(3-phenylpropyl)piperazine-1-carboxylate;hydride
CID 23682953
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
CID 58786483
tert-butyl 2-[(2S,5R)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]acetate
CID 101453201
tert-butyl 4-[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]-3-oxopiperazine-1-carboxylate
CID 155280482
tert-butyl 3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azetidine-1-carboxylate
CID 102672525
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate (CID 11045432) is tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN([C@@H](CO)c2ccccc2)C(=O)C1.
What is the InChIKey of tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate?
The InChIKey is RFYUKWWAOBMRHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-9-10-19(15(21)11-18)14(12-20)13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate?
tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 11045432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).