4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide

C21H24ClN3O4 — CID 9480365

IUPAC4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H24ClN3O4/c1-15(26)24-10-12-25(13-11-24)21(28)9-8-20(27)23-14-18-6-7-19(29-18)16-2-4-17(22)5-3-16/h2-7H,8-14H2,1H3,(H,23,27)
InChIKeyGWALPJIYAQPZKJ-UHFFFAOYSA-N
MW417.89 g/mol
LogP2.69
Rot. Bonds6

About 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide

4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide (PubChem CID 9480365) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide
PubChem CID9480365
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H24ClN3O4/c1-15(26)24-10-12-25(13-11-24)21(28)9-8-20(27)23-14-18-6-7-19(29-18)16-2-4-17(22)5-3-16/h2-7H,8-14H2,1H3,(H,23,27)
InChIKeyGWALPJIYAQPZKJ-UHFFFAOYSA-N
XLogP2.69
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-one
CID 119125549
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
CID 43025865
3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
CID 9021360
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 39948526
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918882
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 46614912
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 29346676
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide (CID 9480365) is 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide is CC(=O)N1CCN(C(=O)CCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide?
The InChIKey is GWALPJIYAQPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-15(26)24-10-12-25(13-11-24)21(28)9-8-20(27)23-14-18-6-7-19(29-18)16-2-4-17(22)5-3-16/h2-7H,8-14H2,1H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide?
4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide has a molecular weight of 417.89 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 9480365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).