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

C22H35N5O4 — CID 91475719

IUPACtert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCc1cn2c(=O)n(C3CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC3)cc2[nH]1
InChIInChI=1S/C22H35N5O4/c1-14-12-27-16(23-14)13-26(20(27)30)15-8-10-25(11-9-15)18(28)17(21(2,3)4)24-19(29)31-22(5,6)7/h12-13,15,17,23H,8-11H2,1-7H3,(H,24,29)/t17-/m0/s1
InChIKeyIQCJPZOLRXSPID-KRWDZBQOSA-N
MW433.55 g/mol
LogP2.84
Rot. Bonds3

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

tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 91475719) has the molecular formula C22H35N5O4 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID91475719
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC Nametert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCc1cn2c(=O)n(C3CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC3)cc2[nH]1
InChIInChI=1S/C22H35N5O4/c1-14-12-27-16(23-14)13-26(20(27)30)15-8-10-25(11-9-15)18(28)17(21(2,3)4)24-19(29)31-22(5,6)7/h12-13,15,17,23H,8-11H2,1-7H3,(H,24,29)/t17-/m0/s1
InChIKeyIQCJPZOLRXSPID-KRWDZBQOSA-N
XLogP2.84
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate 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 N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 131728396
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90728140
tert-butyl N-[3,3-dimethyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 68646879
tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 24688681
tert-butyl N-[1-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 70321847
tert-butyl N-[(2S)-3,3-dimethyl-1-oxo-1-pyrrol-1-ylbutan-2-yl]carbamate
CID 174773944
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
tert-butyl N-[1-(2-acetylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;propane
CID 142573065
tert-butyl N-[(2S)-1-[(1S,4S)-3-(methoxymethyl)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 170010554
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
ethyl 1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 143105469
tert-butyl N-[1-[(2R)-2-(dimethylamino)-3-methylbutanoyl]piperidin-4-yl]carbamate
CID 95155324

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 91475719) is tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is Cc1cn2c(=O)n(C3CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC3)cc2[nH]1.
What is the InChIKey of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is IQCJPZOLRXSPID-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H35N5O4/c1-14-12-27-16(23-14)13-26(20(27)30)15-8-10-25(11-9-15)18(28)17(21(2,3)4)24-19(29)31-22(5,6)7/h12-13,15,17,23H,8-11H2,1-7H3,(H,24,29)/t17-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-1H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 91475719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).