1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one

C24H34N4O3 — CID 126953288

IUPAC1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
SMILESO=C1CCN(CCN2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)CCN1
InChIInChI=1S/C24H34N4O3/c29-24-7-12-27(14-9-25-24)16-15-26-10-4-20(5-11-26)31-23-3-1-2-22-21(23)6-13-28(22)19-8-17-30-18-19/h1-3,6,13,19-20H,4-5,7-12,14-18H2,(H,25,29)
InChIKeyXNJLZTFOGWAUJY-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one

1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one (PubChem CID 126953288) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
PubChem CID126953288
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
SMILESO=C1CCN(CCN2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)CCN1
InChIInChI=1S/C24H34N4O3/c29-24-7-12-27(14-9-25-24)16-15-26-10-4-20(5-11-26)31-23-3-1-2-22-21(23)6-13-28(22)19-8-17-30-18-19/h1-3,6,13,19-20H,4-5,7-12,14-18H2,(H,25,29)
InChIKeyXNJLZTFOGWAUJY-UHFFFAOYSA-N
XLogP2.27
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one with MolForge

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Related Compounds

2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287
5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
CID 126953281
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953211
N,N-dimethyl-3-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 126953222
4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953177
2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 126953172
(2,5-dimethylpyrazol-3-yl)-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126953150
4-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953313
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
CID 126953064

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one (CID 126953288) is 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one is O=C1CCN(CCN2CCC(Oc3cccc4c3ccn4C3CCOC3)CC2)CCN1.
What is the InChIKey of 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one?
The InChIKey is XNJLZTFOGWAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-24-7-12-27(14-9-25-24)16-15-26-10-4-20(5-11-26)31-23-3-1-2-22-21(23)6-13-28(22)19-8-17-30-18-19/h1-3,6,13,19-20H,4-5,7-12,14-18H2,(H,25,29).
What are the key properties of 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one?
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one has a molecular weight of 426.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one is sourced from PubChem (CID 126953288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).