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

C17H23BrN2O2 — CID 45264751

IUPAC4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCCc1ccccc1
InChIInChI=1S/C17H22N2O2.BrH/c20-17-15(8-4-7-13-5-2-1-3-6-13)16(21-19-17)14-9-11-18-12-10-14;/h1-3,5-6,14,18H,4,7-12H2,(H,19,20);1H
InChIKeySRRFESYYZVZPBU-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.19
Rot. Bonds5

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

4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (PubChem CID 45264751) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
PubChem CID45264751
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCCc1ccccc1
InChIInChI=1S/C17H22N2O2.BrH/c20-17-15(8-4-7-13-5-2-1-3-6-13)16(21-19-17)14-9-11-18-12-10-14;/h1-3,5-6,14,18H,4,7-12H2,(H,19,20);1H
InChIKeySRRFESYYZVZPBU-UHFFFAOYSA-N
XLogP3.19
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2r,4s)-2-(Phenylmethyl)piperidin-4-Yl]-1,2-Oxazol-3-One
CID 46938037
4-Naphthalen-1-yl-5-piperidin-4-yl-isoxazol-3-ol
CID 11303367
4-Naphthalen-2-yl-5-piperidin-4-yl-isoxazol-3-ol
CID 11303369
4-Phenyl-5-(4-piperidyl)-3-isoxazolol
CID 11404581
4-Benzyl-5-(4-piperidyl)isothiazol-3-ol
CID 11515916
4-(Biphenyl-3-yl)-5-(piperidin-4-yl)isoxazol-3-ol
CID 16203494
6-(3,3-diphenylprop-2-enoylamino)-N-hydroxyhexanamide
CID 9903149
4-Naphthalen-2-ylmethyl-5-piperidin-4-yl-isoxazol-3-ol
CID 10335436
Dpp-4-piol
CID 45260943
5-((2R,4S)-2-(4-fluorobenzyl)piperidin-4-yl)isoxazol-3(2H)-one
CID 46937701
5-((2S,4S)-2-Benzylpiperidin-4-yl)isoxazol-3(2H)-one
CID 46938035
5-[(2S,4S)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 46938097

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The IUPAC name of 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (CID 45264751) is 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.
What is the SMILES notation for 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The canonical SMILES for 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is Br.O=c1[nH]oc(C2CCNCC2)c1CCCc1ccccc1.
What is the InChIKey of 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The InChIKey is SRRFESYYZVZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.BrH/c20-17-15(8-4-7-13-5-2-1-3-6-13)16(21-19-17)14-9-11-18-12-10-14;/h1-3,5-6,14,18H,4,7-12H2,(H,19,20);1H.
What are the key properties of 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide has a molecular weight of 367.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is sourced from PubChem (CID 45264751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).