2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one

C20H23N3O2 — CID 51281818

IUPAC2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
SMILESCC(C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H23N3O2/c1-15(20(24)18-13-21-19-7-3-2-6-17(18)19)23-10-8-22(9-11-23)14-16-5-4-12-25-16/h2-7,12-13,15,21H,8-11,14H2,1H3
InChIKeyCUARDYLFZNQZKG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.15
Rot. Bonds5

About 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one

2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one (PubChem CID 51281818) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
PubChem CID51281818
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
SMILESCC(C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H23N3O2/c1-15(20(24)18-13-21-19-7-3-2-6-17(18)19)23-10-8-22(9-11-23)14-16-5-4-12-25-16/h2-7,12-13,15,21H,8-11,14H2,1H3
InChIKeyCUARDYLFZNQZKG-UHFFFAOYSA-N
XLogP3.15
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 8693613
1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 3539661
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 8597001
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 46674028
1-[4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56792883
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 19572376
tert-butyl 4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60587797
(2R)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 99978373
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 46662835
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one (CID 51281818) is 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one is CC(C(=O)c1c[nH]c2ccccc12)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is CUARDYLFZNQZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(20(24)18-13-21-19-7-3-2-6-17(18)19)23-10-8-22(9-11-23)14-16-5-4-12-25-16/h2-7,12-13,15,21H,8-11,14H2,1H3.
What are the key properties of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one?
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 337.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 51281818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).