[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid

C20H34N6O4 — CID 68646884

IUPAC[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCC(CC(C)(C)C)[C@@H](NC(=O)O)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1
InChIInChI=1S/C20H34N6O4/c1-14(10-20(2,3)4)16(21-19(29)30)18(28)23-6-8-25(9-7-23)26-13-24-12-22(5)11-15(24)17(26)27/h11,14,16,21H,6-10,12-13H2,1-5H3,(H,29,30)/t14?,16-/m1/s1
InChIKeyFFPPDXIEKFWOGV-BZSJEYESSA-N
MW422.53 g/mol
LogP0.60
Rot. Bonds5

About [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid

[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid (PubChem CID 68646884) has the molecular formula C20H34N6O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid
PubChem CID68646884
Molecular FormulaC20H34N6O4
Molecular Weight422.53 g/mol
Exact Mass422.26
IUPAC Name[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCC(CC(C)(C)C)[C@@H](NC(=O)O)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1
InChIInChI=1S/C20H34N6O4/c1-14(10-20(2,3)4)16(21-19(29)30)18(28)23-6-8-25(9-7-23)26-13-24-12-22(5)11-15(24)17(26)27/h11,14,16,21H,6-10,12-13H2,1-5H3,(H,29,30)/t14?,16-/m1/s1
InChIKeyFFPPDXIEKFWOGV-BZSJEYESSA-N
XLogP0.60
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid (CID 68646884) is [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid is CC(CC(C)(C)C)[C@@H](NC(=O)O)C(=O)N1CCN(N2CN3CN(C)C=C3C2=O)CC1.
What is the InChIKey of [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The InChIKey is FFPPDXIEKFWOGV-BZSJEYESSA-N. The full InChI is InChI=1S/C20H34N6O4/c1-14(10-20(2,3)4)16(21-19(29)30)18(28)23-6-8-25(9-7-23)26-13-24-12-22(5)11-15(24)17(26)27/h11,14,16,21H,6-10,12-13H2,1-5H3,(H,29,30)/t14?,16-/m1/s1.
What are the key properties of [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid?
[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid has a molecular weight of 422.53 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 68646884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).