2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

C28H38N4O — CID 57442367

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C28H38N4O/c33-27(31-21-19-30(20-22-31)26-13-7-8-14-26)23-29-15-17-32(18-16-29)28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,26,28H,7-8,13-23H2
InChIKeyOMYQRGYYGRJFBU-UHFFFAOYSA-N
MW446.64 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone

2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (PubChem CID 57442367) has the molecular formula C28H38N4O and a molecular weight of 446.64 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
PubChem CID57442367
Molecular FormulaC28H38N4O
Molecular Weight446.64 g/mol
Exact Mass446.30
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C28H38N4O/c33-27(31-21-19-30(20-22-31)26-13-7-8-14-26)23-29-15-17-32(18-16-29)28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,26,28H,7-8,13-23H2
InChIKeyOMYQRGYYGRJFBU-UHFFFAOYSA-N
XLogP3.48
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 55475688
2-benzhydryloxy-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 55583808
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
2-(4-cyclohexylpiperazin-1-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 134483239
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 68776266

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone (CID 57442367) is 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
The InChIKey is OMYQRGYYGRJFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O/c33-27(31-21-19-30(20-22-31)26-13-7-8-14-26)23-29-15-17-32(18-16-29)28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,26,28H,7-8,13-23H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone?
2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone has a molecular weight of 446.64 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).