1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one

C21H26N2O3 — CID 110316558

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16(2)18(17-7-4-3-5-8-17)15-20(24)22-10-12-23(13-11-22)21(25)19-9-6-14-26-19/h3-9,14,16,18H,10-13,15H2,1-2H3
InChIKeyOOPJLIZZBARRSP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one (PubChem CID 110316558) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
PubChem CID110316558
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
SMILESCC(C)C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16(2)18(17-7-4-3-5-8-17)15-20(24)22-10-12-23(13-11-22)21(25)19-9-6-14-26-19/h3-9,14,16,18H,10-13,15H2,1-2H3
InChIKeyOOPJLIZZBARRSP-UHFFFAOYSA-N
XLogP3.39
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342737
furan-2-yl-[4-[(3S)-3-phenylbutyl]-1,4-diazepan-1-yl]methanone
CID 95124402
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one (CID 110316558) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one is CC(C)C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one?
The InChIKey is OOPJLIZZBARRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(2)18(17-7-4-3-5-8-17)15-20(24)22-10-12-23(13-11-22)21(25)19-9-6-14-26-19/h3-9,14,16,18H,10-13,15H2,1-2H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one is sourced from PubChem (CID 110316558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).