4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide

C18H24BrN3O2 — CID 70195086

IUPAC4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CN1CCC(c2c[nH]c3ccc(CC4COC(=O)N4)cc23)CC1
InChIInChI=1S/C18H23N3O2.BrH/c1-21-6-4-13(5-7-21)16-10-19-17-3-2-12(9-15(16)17)8-14-11-23-18(22)20-14;/h2-3,9-10,13-14,19H,4-8,11H2,1H3,(H,20,22);1H
InChIKeyFLRJDZBECNWMSH-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.21
Rot. Bonds3

About 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide

4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide (PubChem CID 70195086) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide.

Molecular Properties

Compound Name4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
PubChem CID70195086
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CN1CCC(c2c[nH]c3ccc(CC4COC(=O)N4)cc23)CC1
InChIInChI=1S/C18H23N3O2.BrH/c1-21-6-4-13(5-7-21)16-10-19-17-3-2-12(9-15(16)17)8-14-11-23-18(22)20-14;/h2-3,9-10,13-14,19H,4-8,11H2,1H3,(H,20,22);1H
InChIKeyFLRJDZBECNWMSH-UHFFFAOYSA-N
XLogP3.21
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide with MolForge

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Related Compounds

4-[[3-(3-aminocyclobutyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18691541
4-[[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18366015
4-[[3-[(2S)-2-aminocyclopropyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70268262
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
N,N-dimethyl-2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]ethanamine oxide
CID 25241756
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
(4S)-4-[[3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 59719933
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
CID 67754574
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]methanesulfonamide;hydrochloride
CID 19817120

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide?
The IUPAC name of 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide (CID 70195086) is 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide.
What is the SMILES notation for 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide?
The canonical SMILES for 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide is Br.CN1CCC(c2c[nH]c3ccc(CC4COC(=O)N4)cc23)CC1.
What is the InChIKey of 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide?
The InChIKey is FLRJDZBECNWMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.BrH/c1-21-6-4-13(5-7-21)16-10-19-17-3-2-12(9-15(16)17)8-14-11-23-18(22)20-14;/h2-3,9-10,13-14,19H,4-8,11H2,1H3,(H,20,22);1H.
What are the key properties of 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide?
4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide has a molecular weight of 394.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide is sourced from PubChem (CID 70195086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).