1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

C19H24N2O3 — CID 78781102

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C19H24N2O3/c1-2-23-18-8-4-3-7-17(18)20-11-13-21(14-12-20)19(22)10-9-16-6-5-15-24-16/h3-8,15H,2,9-14H2,1H3
InChIKeyBLTGFHZWXFUXNK-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.96
Rot. Bonds6

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 78781102) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID78781102
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C19H24N2O3/c1-2-23-18-8-4-3-7-17(18)20-11-13-21(14-12-20)19(22)10-9-16-6-5-15-24-16/h3-8,15H,2,9-14H2,1H3
InChIKeyBLTGFHZWXFUXNK-UHFFFAOYSA-N
XLogP2.96
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 9415450
2-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 4810972
tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 9068973
1-(3,4-dimethylphenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9069021
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135554900
(3aS,7aR)-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7923175
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
N-benzyl-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 1030509
N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one (CID 78781102) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is CCOc1ccccc1N1CCN(C(=O)CCc2ccco2)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is BLTGFHZWXFUXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-23-18-8-4-3-7-17(18)20-11-13-21(14-12-20)19(22)10-9-16-6-5-15-24-16/h3-8,15H,2,9-14H2,1H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 328.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 78781102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).