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

C18H29N5O5 — CID 68647575

IUPAC[3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCOC(C)(C)C(NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1
InChIInChI=1S/C18H29N5O5/c1-18(2,28-4)14(19-17(26)27)16(25)21-7-5-12(6-8-21)23-11-22-10-20(3)9-13(22)15(23)24/h9,12,14,19H,5-8,10-11H2,1-4H3,(H,26,27)
InChIKeyHTBUKYLWFVSRQP-UHFFFAOYSA-N
MW395.46 g/mol
LogP-0.12
Rot. Bonds5

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

[3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (PubChem CID 68647575) has the molecular formula C18H29N5O5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
PubChem CID68647575
Molecular FormulaC18H29N5O5
Molecular Weight395.46 g/mol
Exact Mass395.22
IUPAC Name[3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCOC(C)(C)C(NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1
InChIInChI=1S/C18H29N5O5/c1-18(2,28-4)14(19-17(26)27)16(25)21-7-5-12(6-8-21)23-11-22-10-20(3)9-13(22)15(23)24/h9,12,14,19H,5-8,10-11H2,1-4H3,(H,26,27)
InChIKeyHTBUKYLWFVSRQP-UHFFFAOYSA-N
XLogP-0.12
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (CID 68647575) is [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is COC(C)(C)C(NC(=O)O)C(=O)N1CCC(N2CN3CN(C)C=C3C2=O)CC1.
What is the InChIKey of [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is HTBUKYLWFVSRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O5/c1-18(2,28-4)14(19-17(26)27)16(25)21-7-5-12(6-8-21)23-11-22-10-20(3)9-13(22)15(23)24/h9,12,14,19H,5-8,10-11H2,1-4H3,(H,26,27).
What are the key properties of [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
[3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 395.46 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 68647575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).