1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone

C16H23ClN4O2 — CID 53426269

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone
SMILESO=C(CON1CCNCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O2/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(22)13-23-21-7-5-18-6-8-21/h1-4,18H,5-13H2
InChIKeyHJUZQCZEWUHPPB-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.83
Rot. Bonds4

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone (PubChem CID 53426269) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone
PubChem CID53426269
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone
SMILESO=C(CON1CCNCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN4O2/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(22)13-23-21-7-5-18-6-8-21/h1-4,18H,5-13H2
InChIKeyHJUZQCZEWUHPPB-UHFFFAOYSA-N
XLogP0.83
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-chlorobenzoate
CID 7378652
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119843578
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4692412
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone (CID 53426269) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone is O=C(CON1CCNCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone?
The InChIKey is HJUZQCZEWUHPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c17-14-1-3-15(4-2-14)19-9-11-20(12-10-19)16(22)13-23-21-7-5-18-6-8-21/h1-4,18H,5-13H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone has a molecular weight of 338.84 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperazin-1-yloxyethanone is sourced from PubChem (CID 53426269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).