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

C23H37N5O4 — CID 23138434

IUPACtert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
SMILESCCC(CC)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C23H37N5O4/c1-7-16(8-2)19(25-21(30)32-23(4,5)6)20(29)26-11-9-17(10-12-26)27-14-18-13-24-15(3)28(18)22(27)31/h13,16-17,19H,7-12,14H2,1-6H3,(H,25,30)
InChIKeyJTQMCUSQITZSPS-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.30
Rot. Bonds6

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

tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate (PubChem CID 23138434) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
PubChem CID23138434
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC Nametert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
SMILESCCC(CC)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
InChIInChI=1S/C23H37N5O4/c1-7-16(8-2)19(25-21(30)32-23(4,5)6)20(29)26-11-9-17(10-12-26)27-14-18-13-24-15(3)28(18)22(27)31/h13,16-17,19H,7-12,14H2,1-6H3,(H,25,30)
InChIKeyJTQMCUSQITZSPS-UHFFFAOYSA-N
XLogP3.30
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate (CID 23138434) is tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate is CCC(CC)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1.
What is the InChIKey of tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
The InChIKey is JTQMCUSQITZSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-7-16(8-2)19(25-21(30)32-23(4,5)6)20(29)26-11-9-17(10-12-26)27-14-18-13-24-15(3)28(18)22(27)31/h13,16-17,19H,7-12,14H2,1-6H3,(H,25,30).
What are the key properties of tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate?
tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate has a molecular weight of 447.58 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-ethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 23138434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).