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

C21H35N5O4 — CID 68646732

IUPAC[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCC(CC(C)(C)C)[C@@H](NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1
InChIInChI=1S/C21H35N5O4/c1-14(10-21(2,3)4)17(22-20(29)30)19(28)24-8-6-15(7-9-24)26-13-25-12-23(5)11-16(25)18(26)27/h11,14-15,17,22H,6-10,12-13H2,1-5H3,(H,29,30)/t14?,17-/m1/s1
InChIKeyIZJCWNPHWGVAOQ-FBMWCMRBSA-N
MW421.54 g/mol
LogP1.53
Rot. Bonds5

About [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (PubChem CID 68646732) has the molecular formula C21H35N5O4 and a molecular weight of 421.54 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)piperidin-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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
PubChem CID68646732
Molecular FormulaC21H35N5O4
Molecular Weight421.54 g/mol
Exact Mass421.27
IUPAC Name[(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
SMILESCC(CC(C)(C)C)[C@@H](NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1
InChIInChI=1S/C21H35N5O4/c1-14(10-21(2,3)4)17(22-20(29)30)19(28)24-8-6-15(7-9-24)26-13-25-12-23(5)11-16(25)18(26)27/h11,14-15,17,22H,6-10,12-13H2,1-5H3,(H,29,30)/t14?,17-/m1/s1
InChIKeyIZJCWNPHWGVAOQ-FBMWCMRBSA-N
XLogP1.53
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)piperidin-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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid (CID 68646732) is [(2R)-3,5,5-trimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-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)piperidin-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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is CC(CC(C)(C)C)[C@@H](NC(=O)O)C(=O)N1CCC(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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid?
The InChIKey is IZJCWNPHWGVAOQ-FBMWCMRBSA-N. The full InChI is InChI=1S/C21H35N5O4/c1-14(10-21(2,3)4)17(22-20(29)30)19(28)24-8-6-15(7-9-24)26-13-25-12-23(5)11-16(25)18(26)27/h11,14-15,17,22H,6-10,12-13H2,1-5H3,(H,29,30)/t14?,17-/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)piperidin-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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid has a molecular weight of 421.54 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid is sourced from PubChem (CID 68646732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).