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

C25H33N3O2 — CID 55475688

IUPAC1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H33N3O2/c1-30-23-12-14-26(15-13-23)20-24(29)27-16-18-28(19-17-27)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23,25H,12-20H2,1H3
InChIKeyQMZDTNKDLXWQRQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.03
Rot. Bonds6

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

1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 55475688) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
PubChem CID55475688
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C25H33N3O2/c1-30-23-12-14-26(15-13-23)20-24(29)27-16-18-28(19-17-27)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23,25H,12-20H2,1H3
InChIKeyQMZDTNKDLXWQRQ-UHFFFAOYSA-N
XLogP3.03
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 57442367
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
1-(4-benzhydrylpiperazin-1-yl)-4-methoxydecan-1-one
CID 132993174
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 44516665
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
(2R)-2-[4-[2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 97125253

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone (CID 55475688) is 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is QMZDTNKDLXWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-23-12-14-26(15-13-23)20-24(29)27-16-18-28(19-17-27)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,23,25H,12-20H2,1H3.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 407.56 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 55475688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).