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

C19H19N3O3 — CID 32530652

IUPAC1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H19N3O3/c23-18(11-15-12-20-17-4-2-1-3-16(15)17)21-6-8-22(9-7-21)19(24)14-5-10-25-13-14/h1-5,10,12-13,20H,6-9,11H2
InChIKeyGJNVHBGTMHPQCS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds3

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

1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 32530652) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID32530652
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H19N3O3/c23-18(11-15-12-20-17-4-2-1-3-16(15)17)21-6-8-22(9-7-21)19(24)14-5-10-25-13-14/h1-5,10,12-13,20H,6-9,11H2
InChIKeyGJNVHBGTMHPQCS-UHFFFAOYSA-N
XLogP2.29
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 32530652) is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is GJNVHBGTMHPQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(11-15-12-20-17-4-2-1-3-16(15)17)21-6-8-22(9-7-21)19(24)14-5-10-25-13-14/h1-5,10,12-13,20H,6-9,11H2.
What are the key properties of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 32530652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).