(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone

C24H36N4O2 — CID 69284738

IUPAC(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)CC1
InChIInChI=1S/C24H36N4O2/c1-17(2)26-9-7-20(8-10-26)30-21-5-6-22-19(15-21)16-23(25-22)24(29)28-13-11-27(12-14-28)18(3)4/h5-6,15-18,20,25H,7-14H2,1-4H3
InChIKeyUAEMCLWQPKUNGZ-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.59
Rot. Bonds5

About (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone (PubChem CID 69284738) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
PubChem CID69284738
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)CC1
InChIInChI=1S/C24H36N4O2/c1-17(2)26-9-7-20(8-10-26)30-21-5-6-22-19(15-21)16-23(25-22)24(29)28-13-11-27(12-14-28)18(3)4/h5-6,15-18,20,25H,7-14H2,1-4H3
InChIKeyUAEMCLWQPKUNGZ-UHFFFAOYSA-N
XLogP3.59
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 69283299
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 69282977
(4-fluorophenyl)sulfonyl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 87759520
methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
CID 150365162
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide
CID 90889256
4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-1H-indole-2-carbonyl]piperazine-1-carboxylic acid
CID 141212152

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone (CID 69284738) is (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone is CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCN(C(C)C)CC4)cc3c2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The InChIKey is UAEMCLWQPKUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-17(2)26-9-7-20(8-10-26)30-21-5-6-22-19(15-21)16-23(25-22)24(29)28-13-11-27(12-14-28)18(3)4/h5-6,15-18,20,25H,7-14H2,1-4H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone has a molecular weight of 412.58 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 69284738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).