1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one

C24H36N4O3 — CID 57442735

IUPAC1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
SMILESCc1ccccc1OC(C)C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C24H36N4O3/c1-19-6-3-4-9-22(19)31-20(2)24(30)28-12-10-25(11-13-28)18-23(29)27-16-14-26(15-17-27)21-7-5-8-21/h3-4,6,9,20-21H,5,7-8,10-18H2,1-2H3
InChIKeyJPPBITOEGVCCCA-UHFFFAOYSA-N
MW428.58 g/mol
LogP1.60
Rot. Bonds6

About 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one

1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one (PubChem CID 57442735) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
PubChem CID57442735
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
SMILESCc1ccccc1OC(C)C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C24H36N4O3/c1-19-6-3-4-9-22(19)31-20(2)24(30)28-12-10-25(11-13-28)18-23(29)27-16-14-26(15-17-27)21-7-5-8-21/h3-4,6,9,20-21H,5,7-8,10-18H2,1-2H3
InChIKeyJPPBITOEGVCCCA-UHFFFAOYSA-N
XLogP1.60
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one with MolForge

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
4-[4-[(2S)-2-(2-methylphenoxy)propanoyl]piperazin-1-yl]butanoic acid
CID 129381820
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059
2-[4-(2-amino-3-methylbenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442950
2-(2-methylphenoxy)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119330992
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 57442807
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
2-(2-methylphenoxy)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119331005
(2S)-2-amino-3-methyl-1-[4-[2-(2-methylphenoxy)propanoyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119331024
2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 57442367
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one?
The IUPAC name of 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one (CID 57442735) is 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one?
The canonical SMILES for 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one is Cc1ccccc1OC(C)C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one?
The InChIKey is JPPBITOEGVCCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-19-6-3-4-9-22(19)31-20(2)24(30)28-12-10-25(11-13-28)18-23(29)27-16-14-26(15-17-27)21-7-5-8-21/h3-4,6,9,20-21H,5,7-8,10-18H2,1-2H3.
What are the key properties of 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one?
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one has a molecular weight of 428.58 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one is sourced from PubChem (CID 57442735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).