tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate

C19H30N6O5 — CID 23138135

IUPACtert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C19H30N6O5/c1-13-20-10-14-11-24(18(28)25(13)14)23-8-6-22(7-9-23)16(26)15(12-29-5)21-17(27)30-19(2,3)4/h10,15H,6-9,11-12H2,1-5H3,(H,21,27)
InChIKeyJUYQRRGBEKIFRJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP0.57
Rot. Bonds5

About tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 23138135) has the molecular formula C19H30N6O5 and a molecular weight of 422.49 g/mol. Its IUPAC name is tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID23138135
Molecular FormulaC19H30N6O5
Molecular Weight422.49 g/mol
Exact Mass422.23
IUPAC Nametert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C19H30N6O5/c1-13-20-10-14-11-24(18(28)25(13)14)23-8-6-22(7-9-23)16(26)15(12-29-5)21-17(27)30-19(2,3)4/h10,15H,6-9,11-12H2,1-5H3,(H,21,27)
InChIKeyJUYQRRGBEKIFRJ-UHFFFAOYSA-N
XLogP0.57
TPSA109.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate (CID 23138135) is tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate is COCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1.
What is the InChIKey of tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is JUYQRRGBEKIFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O5/c1-13-20-10-14-11-24(18(28)25(13)14)23-8-6-22(7-9-23)16(26)15(12-29-5)21-17(27)30-19(2,3)4/h10,15H,6-9,11-12H2,1-5H3,(H,21,27).
What are the key properties of tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 422.49 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methoxy-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 23138135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).