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

C37H39N3O3 — CID 139908161

IUPACN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)OCC1(c1ccccc1)c1ccccc1)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C37H39N3O3/c41-34(28-40-35(42)43-29-37(40,32-18-9-3-10-19-32)33-20-11-4-12-21-33)38-24-13-25-39-26-22-36(23-27-39,30-14-5-1-6-15-30)31-16-7-2-8-17-31/h1-12,14-21H,13,22-29H2,(H,38,41)
InChIKeyDRUBOYSPXDZDGW-UHFFFAOYSA-N
MW573.74 g/mol
LogP5.97
Rot. Bonds10

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

N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide (PubChem CID 139908161) has the molecular formula C37H39N3O3 and a molecular weight of 573.74 g/mol. Its IUPAC name is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide
PubChem CID139908161
Molecular FormulaC37H39N3O3
Molecular Weight573.74 g/mol
Exact Mass573.30
IUPAC NameN-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)OCC1(c1ccccc1)c1ccccc1)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C37H39N3O3/c41-34(28-40-35(42)43-29-37(40,32-18-9-3-10-19-32)33-20-11-4-12-21-33)38-24-13-25-39-26-22-36(23-27-39,30-14-5-1-6-15-30)31-16-7-2-8-17-31/h1-12,14-21H,13,22-29H2,(H,38,41)
InChIKeyDRUBOYSPXDZDGW-UHFFFAOYSA-N
XLogP5.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 55.97
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-oxo-4,4-diphenyl-1,3-oxazolidine-3-carboxamide
CID 22993453
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
3-(4,4-diphenylpiperidin-1-yl)propan-1-amine;propan-1-amine
CID 19079346
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 62817039
methyl 5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 10841190
2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20881576
[4-phenyl-1-[3-(phenylmethoxycarbonylamino)propyl]piperidin-4-yl] acetate
CID 22993462
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 138397580
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide?
The IUPAC name of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide (CID 139908161) is N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide.
What is the SMILES notation for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide?
The canonical SMILES for N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide is O=C(CN1C(=O)OCC1(c1ccccc1)c1ccccc1)NCCCN1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide?
The InChIKey is DRUBOYSPXDZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O3/c41-34(28-40-35(42)43-29-37(40,32-18-9-3-10-19-32)33-20-11-4-12-21-33)38-24-13-25-39-26-22-36(23-27-39,30-14-5-1-6-15-30)31-16-7-2-8-17-31/h1-12,14-21H,13,22-29H2,(H,38,41).
What are the key properties of N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide?
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide has a molecular weight of 573.74 g/mol, XLogP of 5.97, 10 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-(2-oxo-4,4-diphenyl-1,3-oxazolidin-3-yl)acetamide is sourced from PubChem (CID 139908161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).