N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide

C36H37N3O3 — CID 22993453

IUPACN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)OCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37N3O3/c40-33(39-34(41)42-28-36(39,31-18-9-3-10-19-31)32-20-11-4-12-21-32)37-24-13-25-38-26-22-35(23-27-38,29-14-5-1-6-15-29)30-16-7-2-8-17-30/h1-12,14-21H,13,22-28H2,(H,37,40)
InChIKeyDILVBOZDHKTQIT-UHFFFAOYSA-N
MW559.71 g/mol
LogP6.56
Rot. Bonds8

About N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 22993453) has the molecular formula C36H37N3O3 and a molecular weight of 559.71 g/mol. Its IUPAC name is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide
PubChem CID22993453
Molecular FormulaC36H37N3O3
Molecular Weight559.71 g/mol
Exact Mass559.28
IUPAC NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide
SMILESO=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)OCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H37N3O3/c40-33(39-34(41)42-28-36(39,31-18-9-3-10-19-31)32-20-11-4-12-21-32)37-24-13-25-38-26-22-35(23-27-38,29-14-5-1-6-15-29)30-16-7-2-8-17-30/h1-12,14-21H,13,22-28H2,(H,37,40)
InChIKeyDILVBOZDHKTQIT-UHFFFAOYSA-N
XLogP6.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide
CID 139908161
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
CID 142000825
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 19972443
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-thioxanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740743
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine
CID 19079346
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
methyl 5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 10841190
[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate
CID 22993462
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 10281391

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide (CID 22993453) is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide is O=C(NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1)N1C(=O)OCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is DILVBOZDHKTQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O3/c40-33(39-34(41)42-28-36(39,31-18-9-3-10-19-31)32-20-11-4-12-21-32)37-24-13-25-38-26-22-35(23-27-38,29-14-5-1-6-15-29)30-16-7-2-8-17-30/h1-12,14-21H,13,22-28H2,(H,37,40).
What are the key properties of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide?
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 559.71 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 22993453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).