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

C22H37N5O4 — CID 68646505

IUPAC[(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid
SMILESCC(C[C@@H](NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)CC(C)(C)C
InChIInChI=1S/C22H37N5O4/c1-15(11-22(2,3)4)10-17(23-21(30)31)19(28)25-8-6-16(7-9-25)27-14-26-13-24(5)12-18(26)20(27)29/h12,15-17,23H,6-11,13-14H2,1-5H3,(H,30,31)/t15?,17-/m1/s1
InChIKeyKORXPTDMSLCHBX-OMOCHNIRSA-N
MW435.57 g/mol
LogP1.92
Rot. Bonds6

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

[(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid (PubChem CID 68646505) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 g/mol. Its IUPAC name is [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid
PubChem CID68646505
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Name[(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid
SMILESCC(C[C@@H](NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)CC(C)(C)C
InChIInChI=1S/C22H37N5O4/c1-15(11-22(2,3)4)10-17(23-21(30)31)19(28)25-8-6-16(7-9-25)27-14-26-13-24(5)12-18(26)20(27)29/h12,15-17,23H,6-11,13-14H2,1-5H3,(H,30,31)/t15?,17-/m1/s1
InChIKeyKORXPTDMSLCHBX-OMOCHNIRSA-N
XLogP1.92
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid?
The IUPAC name of [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid (CID 68646505) is [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid is CC(C[C@@H](NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1)CC(C)(C)C.
What is the InChIKey of [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid?
The InChIKey is KORXPTDMSLCHBX-OMOCHNIRSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-15(11-22(2,3)4)10-17(23-21(30)31)19(28)25-8-6-16(7-9-25)27-14-26-13-24(5)12-18(26)20(27)29/h12,15-17,23H,6-11,13-14H2,1-5H3,(H,30,31)/t15?,17-/m1/s1.
What are the key properties of [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid?
[(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid has a molecular weight of 435.57 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,6,6-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxoheptan-2-yl]carbamic acid is sourced from PubChem (CID 68646505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).