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

C19H22N2O3 — CID 86799659

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-4-6-16(7-5-15)17(22)8-9-20-10-12-21(13-11-20)19(23)18-3-2-14-24-18/h2-7,14H,8-13H2,1H3
InChIKeyMZXKNLBSSKAJSZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds5

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

3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one (PubChem CID 86799659) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
PubChem CID86799659
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-15-4-6-16(7-5-15)17(22)8-9-20-10-12-21(13-11-20)19(23)18-3-2-14-24-18/h2-7,14H,8-13H2,1H3
InChIKeyMZXKNLBSSKAJSZ-UHFFFAOYSA-N
XLogP2.62
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108544711
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl (Z)-3-aminobut-2-enoate
CID 70416273
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one (CID 86799659) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The InChIKey is MZXKNLBSSKAJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-4-6-16(7-5-15)17(22)8-9-20-10-12-21(13-11-20)19(23)18-3-2-14-24-18/h2-7,14H,8-13H2,1H3.
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 86799659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).