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

C20H23BrN2O2 — CID 45260893

IUPAC4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O2.BrH/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14;/h1-5,7,13,16,21H,6,8-12H2,(H,22,23);1H
InChIKeyHDAZQQTUPOVPIO-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.95
Rot. Bonds4

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

4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (PubChem CID 45260893) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
PubChem CID45260893
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O2.BrH/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14;/h1-5,7,13,16,21H,6,8-12H2,(H,22,23);1H
InChIKeyHDAZQQTUPOVPIO-UHFFFAOYSA-N
XLogP3.95
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The IUPAC name of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (CID 45260893) is 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.
What is the SMILES notation for 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The canonical SMILES for 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is Br.O=c1[nH]oc(C2CCNCC2)c1CCc1ccc2ccccc2c1.
What is the InChIKey of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The InChIKey is HDAZQQTUPOVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.BrH/c23-20-18(19(24-22-20)16-9-11-21-12-10-16)8-6-14-5-7-15-3-1-2-4-17(15)13-14;/h1-5,7,13,16,21H,6,8-12H2,(H,22,23);1H.
What are the key properties of 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide has a molecular weight of 403.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-2-ylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is sourced from PubChem (CID 45260893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).