[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

C24H30N4O2 — CID 126952991

IUPAC[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)nn1C
InChIInChI=1S/C24H30N4O2/c1-17-16-21(25-26(17)2)24(29)27-13-10-19(11-14-27)30-23-9-5-8-22-20(23)12-15-28(22)18-6-3-4-7-18/h5,8-9,12,15-16,18-19H,3-4,6-7,10-11,13-14H2,1-2H3
InChIKeyZSGXOLHMZRBKKC-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.48
Rot. Bonds4

About [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 126952991) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID126952991
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)nn1C
InChIInChI=1S/C24H30N4O2/c1-17-16-21(25-26(17)2)24(29)27-13-10-19(11-14-27)30-23-9-5-8-22-20(23)12-15-28(22)18-6-3-4-7-18/h5,8-9,12,15-16,18-19H,3-4,6-7,10-11,13-14H2,1-2H3
InChIKeyZSGXOLHMZRBKKC-UHFFFAOYSA-N
XLogP4.48
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (CID 126952991) is [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Oc3cccc4c3ccn4C3CCCC3)CC2)nn1C.
What is the InChIKey of [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is ZSGXOLHMZRBKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-16-21(25-26(17)2)24(29)27-13-10-19(11-14-27)30-23-9-5-8-22-20(23)12-15-28(22)18-6-3-4-7-18/h5,8-9,12,15-16,18-19H,3-4,6-7,10-11,13-14H2,1-2H3.
What are the key properties of [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 406.53 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 126952991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).