tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate

C34H50N4O3 — CID 70808434

IUPACtert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CN2CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)COC1(C)C
InChIInChI=1S/C34H50N4O3/c1-31(2,3)41-30(39)38-25(23-40-34(38,8)9)22-36-17-19-37(20-18-36)29-12-10-11-28(35-29)24-13-14-26-27(21-24)33(6,7)16-15-32(26,4)5/h10-14,21,25H,15-20,22-23H2,1-9H3/t25-/m1/s1
InChIKeyHGXAGQORURWPSM-RUZDIDTESA-N
MW562.80 g/mol
LogP6.59
Rot. Bonds4

About tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 70808434) has the molecular formula C34H50N4O3 and a molecular weight of 562.80 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID70808434
Molecular FormulaC34H50N4O3
Molecular Weight562.80 g/mol
Exact Mass562.39
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CN2CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)COC1(C)C
InChIInChI=1S/C34H50N4O3/c1-31(2,3)41-30(39)38-25(23-40-34(38,8)9)22-36-17-19-37(20-18-36)29-12-10-11-28(35-29)24-13-14-26-27(21-24)33(6,7)16-15-32(26,4)5/h10-14,21,25H,15-20,22-23H2,1-9H3/t25-/m1/s1
InChIKeyHGXAGQORURWPSM-RUZDIDTESA-N
XLogP6.59
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.80
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate (CID 70808434) is tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](CN2CCN(c3cccc(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n3)CC2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is HGXAGQORURWPSM-RUZDIDTESA-N. The full InChI is InChI=1S/C34H50N4O3/c1-31(2,3)41-30(39)38-25(23-40-34(38,8)9)22-36-17-19-37(20-18-36)29-12-10-11-28(35-29)24-13-14-26-27(21-24)33(6,7)16-15-32(26,4)5/h10-14,21,25H,15-20,22-23H2,1-9H3/t25-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 562.80 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-[[4-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 70808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).