tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

C21H33N5O5 — CID 23138226

IUPACtert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)O)CC1)C2
InChIInChI=1S/C21H33N5O5/c1-13-22-11-15-12-25(19(29)26(13)15)14-7-9-24(10-8-14)17(27)16(21(5,6)30)23-18(28)31-20(2,3)4/h11,14,16,30H,7-10,12H2,1-6H3,(H,23,28)
InChIKeyHYWZFGXKMGGSDJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.63
Rot. Bonds4

About tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 23138226) has the molecular formula C21H33N5O5 and a molecular weight of 435.53 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID23138226
Molecular FormulaC21H33N5O5
Molecular Weight435.53 g/mol
Exact Mass435.25
IUPAC Nametert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)O)CC1)C2
InChIInChI=1S/C21H33N5O5/c1-13-22-11-15-12-25(19(29)26(13)15)14-7-9-24(10-8-14)17(27)16(21(5,6)30)23-18(28)31-20(2,3)4/h11,14,16,30H,7-10,12H2,1-6H3,(H,23,28)
InChIKeyHYWZFGXKMGGSDJ-UHFFFAOYSA-N
XLogP1.63
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 23138226) is tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)O)CC1)C2.
What is the InChIKey of tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is HYWZFGXKMGGSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O5/c1-13-22-11-15-12-25(19(29)26(13)15)14-7-9-24(10-8-14)17(27)16(21(5,6)30)23-18(28)31-20(2,3)4/h11,14,16,30H,7-10,12H2,1-6H3,(H,23,28).
What are the key properties of tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 435.53 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 23138226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).