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

C19H19N3O3 — CID 945225

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c23-17(15-12-20-16-5-2-1-4-14(15)16)13-21-7-9-22(10-8-21)19(24)18-6-3-11-25-18/h1-6,11-12,20H,7-10,13H2
InChIKeyIBPHVNFOTUPOPO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.40
Rot. Bonds4

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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (PubChem CID 945225) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
PubChem CID945225
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c23-17(15-12-20-16-5-2-1-4-14(15)16)13-21-7-9-22(10-8-21)19(24)18-6-3-11-25-18/h1-6,11-12,20H,7-10,13H2
InChIKeyIBPHVNFOTUPOPO-UHFFFAOYSA-N
XLogP2.40
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110397351
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659763
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
1-(5-fluoro-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 113208080
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (CID 945225) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone is O=C(CN1CCN(C(=O)c2ccco2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is IBPHVNFOTUPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17(15-12-20-16-5-2-1-4-14(15)16)13-21-7-9-22(10-8-21)19(24)18-6-3-11-25-18/h1-6,11-12,20H,7-10,13H2.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.40, 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-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 945225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).