5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide

C12H23BrN2O2 — CID 3040557

IUPAC5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CCCN1CC(CN2CCCCC2)OC1=O
InChIInChI=1S/C12H22N2O2.BrH/c1-2-6-14-10-11(16-12(14)15)9-13-7-4-3-5-8-13;/h11H,2-10H2,1H3;1H
InChIKeyIGQHDSOELRIVBJ-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.28
Rot. Bonds4

About 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide

5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide (PubChem CID 3040557) has the molecular formula C12H23BrN2O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide
PubChem CID3040557
Molecular FormulaC12H23BrN2O2
Molecular Weight307.23 g/mol
Exact Mass306.09
IUPAC Name5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CCCN1CC(CN2CCCCC2)OC1=O
InChIInChI=1S/C12H22N2O2.BrH/c1-2-6-14-10-11(16-12(14)15)9-13-7-4-3-5-8-13;/h11H,2-10H2,1H3;1H
InChIKeyIGQHDSOELRIVBJ-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinecarboxylic acid, diethylaminoethyl ester
CID 410183
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-propyl-, monohydrobromide
CID 3040561
2-Oxazolidinone, 3-(2-methylpropyl)-5-(4-morpholinylmethyl)-, monohydrobromide
CID 3040571
Piperidinium, 1,1-dimethyl-3-hydroxy-, bromide, dimethylcarbamate (ester)
CID 3051243
3-(3-(Piperidin-1-yl)propyl)-1,3-oxazolidin-2-one
CID 17785481
2-Pyrrolidin-1-ylethyl 4-methylpiperazine-1-carboxylate
CID 515568
Trimethyl-[2-(piperidine-1-carbonyloxy)ethyl]azanium
CID 46591
5-(Piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
CID 3040558
3-(2-Methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
CID 3040572
(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate
CID 3051244
3-[1-(2,2-Difluoroacetyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 74227553
1-Methylpiperidin-3-yl dimethylcarbamate
CID 299375

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
The IUPAC name of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide (CID 3040557) is 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide is Br.CCCN1CC(CN2CCCCC2)OC1=O.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
The InChIKey is IGQHDSOELRIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.BrH/c1-2-6-14-10-11(16-12(14)15)9-13-7-4-3-5-8-13;/h11H,2-10H2,1H3;1H.
What are the key properties of 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide?
5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide has a molecular weight of 307.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one;hydrobromide is sourced from PubChem (CID 3040557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).