1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone

C19H22ClN3O — CID 109002032

IUPAC1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
SMILESO=C(CNc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)21-14-19(24)23-11-9-22(10-12-23)15-16-5-2-1-3-6-16/h1-8,13,21H,9-12,14-15H2
InChIKeyOZGUWDLYGRSXBF-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.10
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone

1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone (PubChem CID 109002032) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
PubChem CID109002032
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
SMILESO=C(CNc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)21-14-19(24)23-11-9-22(10-12-23)15-16-5-2-1-3-6-16/h1-8,13,21H,9-12,14-15H2
InChIKeyOZGUWDLYGRSXBF-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone
CID 68841046
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
1-[4-(1H-benzimidazol-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-chloroanilino)ethanone
CID 46887748
2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
methyl 4-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 109002062
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone (CID 109002032) is 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone is O=C(CNc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
The InChIKey is OZGUWDLYGRSXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-7-4-8-18(13-17)21-14-19(24)23-11-9-22(10-12-23)15-16-5-2-1-3-6-16/h1-8,13,21H,9-12,14-15H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone has a molecular weight of 343.86 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone is sourced from PubChem (CID 109002032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).