8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one

C24H28N4O2 — CID 164521060

IUPAC8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one
SMILESCC(C)c1c(-c2ccc(=O)n3c2CCC3)[nH]c2ccc(C(=O)N3CCNCC3)cc12
InChIInChI=1S/C24H28N4O2/c1-15(2)22-18-14-16(24(30)27-12-9-25-10-13-27)5-7-19(18)26-23(22)17-6-8-21(29)28-11-3-4-20(17)28/h5-8,14-15,25-26H,3-4,9-13H2,1-2H3
InChIKeyCFPXYAYJZDVTLU-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.11
Rot. Bonds3

About 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one

8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one (PubChem CID 164521060) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one
PubChem CID164521060
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one
SMILESCC(C)c1c(-c2ccc(=O)n3c2CCC3)[nH]c2ccc(C(=O)N3CCNCC3)cc12
InChIInChI=1S/C24H28N4O2/c1-15(2)22-18-14-16(24(30)27-12-9-25-10-13-27)5-7-19(18)26-23(22)17-6-8-21(29)28-11-3-4-20(17)28/h5-8,14-15,25-26H,3-4,9-13H2,1-2H3
InChIKeyCFPXYAYJZDVTLU-UHFFFAOYSA-N
XLogP3.11
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one (CID 164521060) is 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one is CC(C)c1c(-c2ccc(=O)n3c2CCC3)[nH]c2ccc(C(=O)N3CCNCC3)cc12.
What is the InChIKey of 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is CFPXYAYJZDVTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15(2)22-18-14-16(24(30)27-12-9-25-10-13-27)5-7-19(18)26-23(22)17-6-8-21(29)28-11-3-4-20(17)28/h5-8,14-15,25-26H,3-4,9-13H2,1-2H3.
What are the key properties of 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one?
8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 404.51 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 164521060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).