4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide

C24H28N4O3 — CID 86969710

IUPAC4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
SMILESCC(NC(=O)C(C)N1CCN(c2ccc(C(N)=O)cc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C24H28N4O3/c1-16(22-15-19-5-3-4-6-21(19)31-22)26-24(30)17(2)27-11-13-28(14-12-27)20-9-7-18(8-10-20)23(25)29/h3-10,15-17H,11-14H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyNMISPCBIFUDDAQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.92
Rot. Bonds6

About 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide

4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide (PubChem CID 86969710) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
PubChem CID86969710
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
SMILESCC(NC(=O)C(C)N1CCN(c2ccc(C(N)=O)cc2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C24H28N4O3/c1-16(22-15-19-5-3-4-6-21(19)31-22)26-24(30)17(2)27-11-13-28(14-12-27)20-9-7-18(8-10-20)23(25)29/h3-10,15-17H,11-14H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyNMISPCBIFUDDAQ-UHFFFAOYSA-N
XLogP2.92
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 120758820
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320
4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
CID 86969750
2-(1-benzofuran-2-yl)-N-(2,6-dimethylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 53383972
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
4-[2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996561
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
4-[4-[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969612
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 126771688
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969614
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide (CID 86969710) is 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide is CC(NC(=O)C(C)N1CCN(c2ccc(C(N)=O)cc2)CC1)c1cc2ccccc2o1.
What is the InChIKey of 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
The InChIKey is NMISPCBIFUDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(22-15-19-5-3-4-6-21(19)31-22)26-24(30)17(2)27-11-13-28(14-12-27)20-9-7-18(8-10-20)23(25)29/h3-10,15-17H,11-14H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide?
4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[1-(1-benzofuran-2-yl)ethylamino]-1-oxopropan-2-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).