1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one

C24H26N2O2 — CID 27041646

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C24H26N2O2/c1-19-6-5-9-21(18-19)25-14-16-26(17-15-25)24(27)13-11-22-10-12-23(28-22)20-7-3-2-4-8-20/h2-10,12,18H,11,13-17H2,1H3
InChIKeyIBLFTSRSCGCLAA-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.54
Rot. Bonds5

About 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one

1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one (PubChem CID 27041646) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
PubChem CID27041646
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C24H26N2O2/c1-19-6-5-9-21(18-19)25-14-16-26(17-15-25)24(27)13-11-22-10-12-23(28-22)20-7-3-2-4-8-20/h2-10,12,18H,11,13-17H2,1H3
InChIKeyIBLFTSRSCGCLAA-UHFFFAOYSA-N
XLogP4.54
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446
3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9114353
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 110700701
3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 9111348
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38575569
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
N-butan-2-yl-2-[4-[3-(5-phenylfuran-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 134043788
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one (CID 27041646) is 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one is Cc1cccc(N2CCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
The InChIKey is IBLFTSRSCGCLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-19-6-5-9-21(18-19)25-14-16-26(17-15-25)24(27)13-11-22-10-12-23(28-22)20-7-3-2-4-8-20/h2-10,12,18H,11,13-17H2,1H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one has a molecular weight of 374.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one is sourced from PubChem (CID 27041646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).