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

C24H39N5O6 — CID 66853336

IUPACtert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCCC(=O)N(CC)CCC(=O)OCN1C=C2C(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C24H39N5O6/c1-6-20(30)26(7-2)13-10-21(31)34-17-25-14-19-22(32)29(16-28(19)15-25)18-8-11-27(12-9-18)23(33)35-24(3,4)5/h14,18H,6-13,15-17H2,1-5H3
InChIKeyYFOXHEHECLZGSS-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.75
Rot. Bonds8

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

tert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 66853336) has the molecular formula C24H39N5O6 and a molecular weight of 493.61 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID66853336
Molecular FormulaC24H39N5O6
Molecular Weight493.61 g/mol
Exact Mass493.29
IUPAC Nametert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCCC(=O)N(CC)CCC(=O)OCN1C=C2C(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C24H39N5O6/c1-6-20(30)26(7-2)13-10-21(31)34-17-25-14-19-22(32)29(16-28(19)15-25)18-8-11-27(12-9-18)23(33)35-24(3,4)5/h14,18H,6-13,15-17H2,1-5H3
InChIKeyYFOXHEHECLZGSS-UHFFFAOYSA-N
XLogP1.75
TPSA102.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
tert-butyl 4-[3-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853334
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-[1-[4-[cyano-(3-ethoxy-3-oxopropyl)amino]phenyl]piperidin-4-yl]piperidine-1-carboxylate
CID 163378058
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
CID 156745703
tert-butyl 4-[ethyl(2-hydroxyethyl)carbamoyl]piperidine-1-carboxylate
CID 78855436
tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
CID 30764016
tert-butyl 4-[6-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]piperidine-1-carboxylate
CID 117274618
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
CID 18969335

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-[ethyl(propanoyl)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-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 66853336) is tert-butyl 4-[2-[3-[ethyl(propanoyl)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-[ethyl(propanoyl)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-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CCC(=O)N(CC)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-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is YFOXHEHECLZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O6/c1-6-20(30)26(7-2)13-10-21(31)34-17-25-14-19-22(32)29(16-28(19)15-25)18-8-11-27(12-9-18)23(33)35-24(3,4)5/h14,18H,6-13,15-17H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 493.61 g/mol, XLogP of 1.75, 8 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-[ethyl(propanoyl)amino]propanoyloxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66853336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).