1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione

C21H24N2O4 — CID 32528448

IUPAC1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
SMILESCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-16-3-5-17(6-4-16)19(24)7-8-20(25)22-10-12-23(13-11-22)21(26)18-9-14-27-15-18/h3-6,9,14-15H,2,7-8,10-13H2,1H3
InChIKeyRDUKYRVQWRXQNU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.79
Rot. Bonds6

About 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione

1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione (PubChem CID 32528448) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
PubChem CID32528448
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
SMILESCCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-16-3-5-17(6-4-16)19(24)7-8-20(25)22-10-12-23(13-11-22)21(26)18-9-14-27-15-18/h3-6,9,14-15H,2,7-8,10-13H2,1H3
InChIKeyRDUKYRVQWRXQNU-UHFFFAOYSA-N
XLogP2.79
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione with MolForge

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Related Compounds

1-(3,4-dimethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32533921
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 32532204
3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 32532383
1-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 78774986
1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349834
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 119292854
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione
CID 27259279
1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-ethylphenyl)butane-1,4-dione
CID 27757239
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 38496850
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-4-(4-ethylphenyl)butane-1,4-dione
CID 78809037

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione (CID 32528448) is 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione is CCc1ccc(C(=O)CCC(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione?
The InChIKey is RDUKYRVQWRXQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-16-3-5-17(6-4-16)19(24)7-8-20(25)22-10-12-23(13-11-22)21(26)18-9-14-27-15-18/h3-6,9,14-15H,2,7-8,10-13H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione?
1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione has a molecular weight of 368.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 32528448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).