tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

C22H35N5O6 — CID 66853028

IUPACtert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(=O)N(C)CCC(=O)OCN1C=C2C(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C22H35N5O6/c1-16(28)23(5)9-8-19(29)32-15-24-12-18-20(30)27(14-26(18)13-24)17-6-10-25(11-7-17)21(31)33-22(2,3)4/h12,17H,6-11,13-15H2,1-5H3
InChIKeyZYJINBPDIKBABG-UHFFFAOYSA-N
MW465.55 g/mol
LogP0.97
Rot. Bonds6

About tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 66853028) has the molecular formula C22H35N5O6 and a molecular weight of 465.55 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID66853028
Molecular FormulaC22H35N5O6
Molecular Weight465.55 g/mol
Exact Mass465.26
IUPAC Nametert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(=O)N(C)CCC(=O)OCN1C=C2C(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C22H35N5O6/c1-16(28)23(5)9-8-19(29)32-15-24-12-18-20(30)27(14-26(18)13-24)17-6-10-25(11-7-17)21(31)33-22(2,3)4/h12,17H,6-11,13-15H2,1-5H3
InChIKeyZYJINBPDIKBABG-UHFFFAOYSA-N
XLogP0.97
TPSA102.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853336
benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853124
tert-butyl 4-(7-oxo-5H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 66853102
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-[6-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]piperidine-1-carboxylate
CID 117274618
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
tert-butyl 4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxylate
CID 46344020
tert-butyl 4-[3-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853334
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 66853028) is tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CC(=O)N(C)CCC(=O)OCN1C=C2C(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)CN2C1.
What is the InChIKey of tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is ZYJINBPDIKBABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O6/c1-16(28)23(5)9-8-19(29)32-15-24-12-18-20(30)27(14-26(18)13-24)17-6-10-25(11-7-17)21(31)33-22(2,3)4/h12,17H,6-11,13-15H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-[acetyl(methyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66853028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).