1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone

C25H35N3O2 — CID 126953078

IUPAC1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CN1CCC(Oc2cccc3c2ccn3C2CCCC2)CC1
InChIInChI=1S/C25H35N3O2/c1-19(29)27-14-5-8-21(27)18-26-15-11-22(12-16-26)30-25-10-4-9-24-23(25)13-17-28(24)20-6-2-3-7-20/h4,9-10,13,17,20-22H,2-3,5-8,11-12,14-16,18H2,1H3
InChIKeyWAKVUXQBDQPPFR-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.61
Rot. Bonds5

About 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone

1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 126953078) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID126953078
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CN1CCC(Oc2cccc3c2ccn3C2CCCC2)CC1
InChIInChI=1S/C25H35N3O2/c1-19(29)27-14-5-8-21(27)18-26-15-11-22(12-16-26)30-25-10-4-9-24-23(25)13-17-28(24)20-6-2-3-7-20/h4,9-10,13,17,20-22H,2-3,5-8,11-12,14-16,18H2,1H3
InChIKeyWAKVUXQBDQPPFR-UHFFFAOYSA-N
XLogP4.61
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

5-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126953033
2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953459
[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 126952991
5-[2-[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]ethyl]-2-methyl-1,3-oxazole
CID 126953064
6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126952834
2-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 126953287
4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2-oxazole
CID 126953281
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
1-[2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]ethyl]-1,4-diazepan-5-one
CID 126953288
4-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]oxy-1-(oxolan-3-yl)indole
CID 126953211
2-methyl-4-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 126953191

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone (CID 126953078) is 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1CN1CCC(Oc2cccc3c2ccn3C2CCCC2)CC1.
What is the InChIKey of 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is WAKVUXQBDQPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-19(29)27-14-5-8-21(27)18-26-15-11-22(12-16-26)30-25-10-4-9-24-23(25)13-17-28(24)20-6-2-3-7-20/h4,9-10,13,17,20-22H,2-3,5-8,11-12,14-16,18H2,1H3.
What are the key properties of 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 409.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126953078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).