5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one

C24H30N4O2 — CID 126953033

IUPAC5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
SMILESCn1ncc(CN2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)cc1=O
InChIInChI=1S/C24H30N4O2/c1-26-24(29)15-18(16-25-26)17-27-12-9-20(10-13-27)30-23-8-4-7-22-21(23)11-14-28(22)19-5-2-3-6-19/h4,7-8,11,14-16,19-20H,2-3,5-6,9-10,12-13,17H2,1H3
InChIKeyOVPRUFOGSPBPFH-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.89
Rot. Bonds5

About 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one

5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one (PubChem CID 126953033) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
PubChem CID126953033
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
SMILESCn1ncc(CN2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)cc1=O
InChIInChI=1S/C24H30N4O2/c1-26-24(29)15-18(16-25-26)17-27-12-9-20(10-13-27)30-23-8-4-7-22-21(23)11-14-28(22)19-5-2-3-6-19/h4,7-8,11,14-16,19-20H,2-3,5-6,9-10,12-13,17H2,1H3
InChIKeyOVPRUFOGSPBPFH-UHFFFAOYSA-N
XLogP3.89
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
CID 126953064
1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126953078
[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 126952991
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
CID 126953281
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471
5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126952400
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
CID 126952577
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953472
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191
5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one (CID 126953033) is 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one is Cn1ncc(CN2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)cc1=O.
What is the InChIKey of 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The InChIKey is OVPRUFOGSPBPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-26-24(29)15-18(16-25-26)17-27-12-9-20(10-13-27)30-23-8-4-7-22-21(23)11-14-28(22)19-5-2-3-6-19/h4,7-8,11,14-16,19-20H,2-3,5-6,9-10,12-13,17H2,1H3.
What are the key properties of 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one?
5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one has a molecular weight of 406.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126953033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).