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

C22H35N5O4 — CID 131728396

IUPACtert-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
SMILESCc1cn2c(n1)CN(C1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1)C2=O
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/h12,15,17H,8-11,13H2,1-7H3,(H,24,29)/t17-/m0/s1
InChIKeyPJQQYWKFETXKGJ-KRWDZBQOSA-N
MW433.55 g/mol
LogP2.91
Rot. Bonds3

About 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

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 (PubChem CID 131728396) 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-7H-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-7H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID131728396
Molecular FormulaC22H35N5O4
Molecular Weight433.55 g/mol
Exact Mass433.27
IUPAC Nametert-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
SMILESCc1cn2c(n1)CN(C1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1)C2=O
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/h12,15,17H,8-11,13H2,1-7H3,(H,24,29)/t17-/m0/s1
InChIKeyPJQQYWKFETXKGJ-KRWDZBQOSA-N
XLogP2.91
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 91005830
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-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
CID 124727874
tert-butyl N-[(2S)-1-[(3R)-3-(1-chloroisoquinolin-6-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88918953
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-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 121017862
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-[1-oxo-1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-2-yl]carbamate
CID 71633505
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2c(n1)CN(C1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1)C2=O.
What is the InChIKey of 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?
The InChIKey is PJQQYWKFETXKGJ-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/h12,15,17H,8-11,13H2,1-7H3,(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-7H-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-7H-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 2.91, 3 rotatable bonds, 1 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-7H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 131728396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).