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

C20H33N5O4 — CID 68646721

IUPACtert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate
SMILESCC(CC(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H33N5O4/c1-14(21-19(28)29-20(2,3)4)10-17(26)23-8-6-15(7-9-23)25-13-24-12-22(5)11-16(24)18(25)27/h11,14-15H,6-10,12-13H2,1-5H3,(H,21,28)
InChIKeyFAPOXDZMVPGMGF-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.13
Rot. Bonds4

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

tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate (PubChem CID 68646721) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate
PubChem CID68646721
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Nametert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate
SMILESCC(CC(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H33N5O4/c1-14(21-19(28)29-20(2,3)4)10-17(26)23-8-6-15(7-9-23)25-13-24-12-22(5)11-16(24)18(25)27/h11,14-15H,6-10,12-13H2,1-5H3,(H,21,28)
InChIKeyFAPOXDZMVPGMGF-UHFFFAOYSA-N
XLogP1.13
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate (CID 68646721) is tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate is CC(CC(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate?
The InChIKey is FAPOXDZMVPGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-14(21-19(28)29-20(2,3)4)10-17(26)23-8-6-15(7-9-23)25-13-24-12-22(5)11-16(24)18(25)27/h11,14-15H,6-10,12-13H2,1-5H3,(H,21,28).
What are the key properties of tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate?
tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate has a molecular weight of 407.52 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 68646721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).