1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone

C21H25N3O2 — CID 108996199

IUPAC1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-18(25)22-12-14-23(15-13-22)21(26)17-24(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3
InChIKeyITCDYKIFAGOFSF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone

1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone (PubChem CID 108996199) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
PubChem CID108996199
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-18(25)22-12-14-23(15-13-22)21(26)17-24(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3
InChIKeyITCDYKIFAGOFSF-UHFFFAOYSA-N
XLogP2.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(N-benzylanilino)acetyl]piperazine-1-carboxylate
CID 109003906
ethyl 4-[2-(N-benzyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 46508849
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
CID 108508402
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-(4-acetylpiperazin-1-yl)-2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethanone
CID 3405021
1-(1,4-diazepan-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 119418185
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
CID 42859271
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220079
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone (CID 108996199) is 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone is CC(=O)N1CCN(C(=O)CN(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone?
The InChIKey is ITCDYKIFAGOFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-18(25)22-12-14-23(15-13-22)21(26)17-24(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone has a molecular weight of 351.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone is sourced from PubChem (CID 108996199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).