2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

C20H21N3O3 — CID 2016055

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O3/c1-14-19(15-5-2-3-6-16(15)21-14)17(24)13-22-8-10-23(11-9-22)20(25)18-7-4-12-26-18/h2-7,12,21H,8-11,13H2,1H3
InChIKeyJQQFAJLYNDRMIP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.71
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 2016055) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID2016055
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O3/c1-14-19(15-5-2-3-6-16(15)21-14)17(24)13-22-8-10-23(11-9-22)20(25)18-7-4-12-26-18/h2-7,12,21H,8-11,13H2,1H3
InChIKeyJQQFAJLYNDRMIP-UHFFFAOYSA-N
XLogP2.71
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 2016055) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is JQQFAJLYNDRMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-19(15-5-2-3-6-16(15)21-14)17(24)13-22-8-10-23(11-9-22)20(25)18-7-4-12-26-18/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 351.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 2016055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).