tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

C24H37N5O6 — CID 66852787

IUPACtert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCCCC(=O)N(C)CCC(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C24H37N5O6/c1-6-7-20(30)26(5)11-10-21(31)34-16-19-25-14-18-15-28(22(32)29(18)19)17-8-12-27(13-9-17)23(33)35-24(2,3)4/h14,17H,6-13,15-16H2,1-5H3
InChIKeyQDROTCCWYPKIDM-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.76
Rot. Bonds8

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

tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 66852787) has the molecular formula C24H37N5O6 and a molecular weight of 491.59 g/mol. Its IUPAC name is tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID66852787
Molecular FormulaC24H37N5O6
Molecular Weight491.59 g/mol
Exact Mass491.27
IUPAC Nametert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCCCC(=O)N(C)CCC(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C24H37N5O6/c1-6-7-20(30)26(5)11-10-21(31)34-16-19-25-14-18-15-28(22(32)29(18)19)17-8-12-27(13-9-17)23(33)35-24(2,3)4/h14,17H,6-13,15-16H2,1-5H3
InChIKeyQDROTCCWYPKIDM-UHFFFAOYSA-N
XLogP2.76
TPSA114.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 66852787) is tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CCCC(=O)N(C)CCC(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is QDROTCCWYPKIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O6/c1-6-7-20(30)26(5)11-10-21(31)34-16-19-25-14-18-15-28(22(32)29(18)19)17-8-12-27(13-9-17)23(33)35-24(2,3)4/h14,17H,6-13,15-16H2,1-5H3.
What are the key properties of tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 491.59 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[3-[butanoyl(methyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66852787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).