1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone

C21H26ClN3O2 — CID 109004365

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone
SMILESCC(C)Oc1ccccc1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16(2)27-20-9-4-3-8-19(20)23-15-21(26)25-12-10-24(11-13-25)18-7-5-6-17(22)14-18/h3-9,14,16,23H,10-13,15H2,1-2H3
InChIKeyOCLRCADEAWJASG-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.89
Rot. Bonds6

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone (PubChem CID 109004365) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone
PubChem CID109004365
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone
SMILESCC(C)Oc1ccccc1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16(2)27-20-9-4-3-8-19(20)23-15-21(26)25-12-10-24(11-13-25)18-7-5-6-17(22)14-18/h3-9,14,16,23H,10-13,15H2,1-2H3
InChIKeyOCLRCADEAWJASG-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluoroanilino)ethanone
CID 109004385
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
2-(4-chloro-2-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004042
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339
2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
2-(4-chloro-2-fluoroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2486451
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 38010558
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone (CID 109004365) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone is CC(C)Oc1ccccc1NCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone?
The InChIKey is OCLRCADEAWJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-16(2)27-20-9-4-3-8-19(20)23-15-21(26)25-12-10-24(11-13-25)18-7-5-6-17(22)14-18/h3-9,14,16,23H,10-13,15H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone has a molecular weight of 387.91 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-propan-2-yloxyanilino)ethanone is sourced from PubChem (CID 109004365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).