(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone

C24H36N4O — CID 68621990

IUPAC(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
SMILESCCCN1CCC(n2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)CC1
InChIInChI=1S/C24H36N4O/c1-4-10-25-11-8-22(9-12-25)28-13-7-20-18-21(5-6-23(20)28)24(29)27-16-14-26(15-17-27)19(2)3/h5-7,13,18-19,22H,4,8-12,14-17H2,1-3H3
InChIKeyKZOSVKFLOLTQGN-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.85
Rot. Bonds5

About (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone (PubChem CID 68621990) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
PubChem CID68621990
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
SMILESCCCN1CCC(n2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)CC1
InChIInChI=1S/C24H36N4O/c1-4-10-25-11-8-22(9-12-25)28-13-7-20-18-21(5-6-23(20)28)24(29)27-16-14-26(15-17-27)19(2)3/h5-7,13,18-19,22H,4,8-12,14-17H2,1-3H3
InChIKeyKZOSVKFLOLTQGN-UHFFFAOYSA-N
XLogP3.85
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone (CID 68621990) is (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone is CCCN1CCC(n2ccc3cc(C(=O)N4CCN(C(C)C)CC4)ccc32)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone?
The InChIKey is KZOSVKFLOLTQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-4-10-25-11-8-22(9-12-25)28-13-7-20-18-21(5-6-23(20)28)24(29)27-16-14-26(15-17-27)19(2)3/h5-7,13,18-19,22H,4,8-12,14-17H2,1-3H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone has a molecular weight of 396.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone is sourced from PubChem (CID 68621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).