2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone

C21H26N2O — CID 11232518

IUPAC2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-2-13-22-14-16-23(17-15-22)21(24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyXOUURCOZKNEHIM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.37
Rot. Bonds5

About 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone

2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 11232518) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID11232518
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-2-13-22-14-16-23(17-15-22)21(24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyXOUURCOZKNEHIM-UHFFFAOYSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
3-oxo-2-phenyl-3-(4-propylpiperazin-1-yl)propanethioamide
CID 62877558
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
CID 110395727
1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone
CID 139637301
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone (CID 11232518) is 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is XOUURCOZKNEHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-13-22-14-16-23(17-15-22)21(24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3.
What are the key properties of 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone?
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 322.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 11232518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).