tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate

C21H37N3O5 — CID 90766274

IUPACtert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C21H37N3O5/c1-20(2,3)28-18(26)23-11-8-16(9-12-23)17(25)22-13-15-7-10-24(14-15)19(27)29-21(4,5)6/h15-16H,7-14H2,1-6H3,(H,22,25)/t15-/m1/s1
InChIKeyIRUSJPZWSGLOLF-OAHLLOKOSA-N
MW411.54 g/mol
LogP3.01
Rot. Bonds3

About tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 90766274) has the molecular formula C21H37N3O5 and a molecular weight of 411.54 g/mol. Its IUPAC name is tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate
PubChem CID90766274
Molecular FormulaC21H37N3O5
Molecular Weight411.54 g/mol
Exact Mass411.27
IUPAC Nametert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C21H37N3O5/c1-20(2,3)28-18(26)23-11-8-16(9-12-23)17(25)22-13-15-7-10-24(14-15)19(27)29-21(4,5)6/h15-16H,7-14H2,1-6H3,(H,22,25)/t15-/m1/s1
InChIKeyIRUSJPZWSGLOLF-OAHLLOKOSA-N
XLogP3.01
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate (CID 90766274) is tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is IRUSJPZWSGLOLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H37N3O5/c1-20(2,3)28-18(26)23-11-8-16(9-12-23)17(25)22-13-15-7-10-24(14-15)19(27)29-21(4,5)6/h15-16H,7-14H2,1-6H3,(H,22,25)/t15-/m1/s1.
What are the key properties of tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 411.54 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 90766274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).