4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide

C23H27BrN2O2 — CID 45260943

IUPAC4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2.BrH/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19-20,24H,11-16H2,(H,25,26);1H
InChIKeyWJRPRPJTQCUGEW-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.78
Rot. Bonds6

About 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide

4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (PubChem CID 45260943) has the molecular formula C23H27BrN2O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
PubChem CID45260943
Molecular FormulaC23H27BrN2O2
Molecular Weight443.39 g/mol
Exact Mass442.13
IUPAC Name4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2.BrH/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19-20,24H,11-16H2,(H,25,26);1H
InChIKeyWJRPRPJTQCUGEW-UHFFFAOYSA-N
XLogP4.78
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The IUPAC name of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (CID 45260943) is 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.
What is the SMILES notation for 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The canonical SMILES for 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is Br.O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The InChIKey is WJRPRPJTQCUGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2.BrH/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19-20,24H,11-16H2,(H,25,26);1H.
What are the key properties of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide has a molecular weight of 443.39 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is sourced from PubChem (CID 45260943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).