tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

C20H36N4O4 — CID 90731109

IUPACtert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCN1CCN(C2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)C1=O
InChIInChI=1S/C20H36N4O4/c1-19(2,3)15(21-17(26)28-20(4,5)6)16(25)23-10-8-14(9-11-23)24-13-12-22(7)18(24)27/h14-15H,8-13H2,1-7H3,(H,21,26)/t15-/m0/s1
InChIKeyXEELRPCURMNIGB-HNNXBMFYSA-N
MW396.53 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 90731109) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID90731109
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Nametert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCN1CCN(C2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)C1=O
InChIInChI=1S/C20H36N4O4/c1-19(2,3)15(21-17(26)28-20(4,5)6)16(25)23-10-8-14(9-11-23)24-13-12-22(7)18(24)27/h14-15H,8-13H2,1-7H3,(H,21,26)/t15-/m0/s1
InChIKeyXEELRPCURMNIGB-HNNXBMFYSA-N
XLogP2.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 90731109) is tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is CN1CCN(C2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is XEELRPCURMNIGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H36N4O4/c1-19(2,3)15(21-17(26)28-20(4,5)6)16(25)23-10-8-14(9-11-23)24-13-12-22(7)18(24)27/h14-15H,8-13H2,1-7H3,(H,21,26)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 396.53 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 90731109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).