(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone

C24H36N4O — CID 68563854

IUPAC(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C4CCCN(C(C)C)C4)c[nH]c3c2)CC1
InChIInChI=1S/C24H36N4O/c1-17(2)26-10-12-27(13-11-26)24(29)19-7-8-21-22(15-25-23(21)14-19)20-6-5-9-28(16-20)18(3)4/h7-8,14-15,17-18,20,25H,5-6,9-13,16H2,1-4H3
InChIKeyCMDOCHYHGAMGNT-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.92
Rot. Bonds4

About (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone (PubChem CID 68563854) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
PubChem CID68563854
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(C4CCCN(C(C)C)C4)c[nH]c3c2)CC1
InChIInChI=1S/C24H36N4O/c1-17(2)26-10-12-27(13-11-26)24(29)19-7-8-21-22(15-25-23(21)14-19)20-6-5-9-28(16-20)18(3)4/h7-8,14-15,17-18,20,25H,5-6,9-13,16H2,1-4H3
InChIKeyCMDOCHYHGAMGNT-UHFFFAOYSA-N
XLogP3.92
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone (CID 68563854) is (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone is CC(C)N1CCN(C(=O)c2ccc3c(C4CCCN(C(C)C)C4)c[nH]c3c2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone?
The InChIKey is CMDOCHYHGAMGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-17(2)26-10-12-27(13-11-26)24(29)19-7-8-21-22(15-25-23(21)14-19)20-6-5-9-28(16-20)18(3)4/h7-8,14-15,17-18,20,25H,5-6,9-13,16H2,1-4H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone has a molecular weight of 396.58 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone is sourced from PubChem (CID 68563854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).