[1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C39H50N6O3 — CID 11997366

IUPAC[1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCN2CCN(CCCN3C[C@H]4C[C@H]3CN4Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C39H50N6O3/c46-38(40-37-16-8-7-15-36(37)32-13-5-2-6-14-32)48-35-17-23-41(24-18-35)19-9-20-42-25-26-43(39(42)47)21-10-22-44-29-34-27-33(44)30-45(34)28-31-11-3-1-4-12-31/h1-8,11-16,33-35H,9-10,17-30H2,(H,40,46)/t33-,34+/m0/s1
InChIKeyUAQURWUOJMUAMB-SZAHLOSFSA-N
MW650.87 g/mol
LogP5.84
Rot. Bonds13

About [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 11997366) has the molecular formula C39H50N6O3 and a molecular weight of 650.87 g/mol. Its IUPAC name is [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID11997366
Molecular FormulaC39H50N6O3
Molecular Weight650.87 g/mol
Exact Mass650.39
IUPAC Name[1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCN2CCN(CCCN3C[C@H]4C[C@H]3CN4Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C39H50N6O3/c46-38(40-37-16-8-7-15-36(37)32-13-5-2-6-14-32)48-35-17-23-41(24-18-35)19-9-20-42-25-26-43(39(42)47)21-10-22-44-29-34-27-33(44)30-45(34)28-31-11-3-1-4-12-31/h1-8,11-16,33-35H,9-10,17-30H2,(H,40,46)/t33-,34+/m0/s1
InChIKeyUAQURWUOJMUAMB-SZAHLOSFSA-N
XLogP5.84
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.87
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)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

[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11996601
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10645832
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624887
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
[1-[9-[(3,5-dichloro-4-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610609
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632

Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 11997366) is [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCN2CCN(CCCN3C[C@H]4C[C@H]3CN4Cc3ccccc3)C2=O)CC1.
What is the InChIKey of [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is UAQURWUOJMUAMB-SZAHLOSFSA-N. The full InChI is InChI=1S/C39H50N6O3/c46-38(40-37-16-8-7-15-36(37)32-13-5-2-6-14-32)48-35-17-23-41(24-18-35)19-9-20-42-25-26-43(39(42)47)21-10-22-44-29-34-27-33(44)30-45(34)28-31-11-3-1-4-12-31/h1-8,11-16,33-35H,9-10,17-30H2,(H,40,46)/t33-,34+/m0/s1.
What are the key properties of [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 650.87 g/mol, XLogP of 5.84, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[3-[3-[(1S,4R)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 11997366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).