1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone

C20H24N2O — CID 2303179

IUPAC1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
SMILESCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-2-21-13-15-22(16-14-21)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyXNNABTRMDHBRQZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone

1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone (PubChem CID 2303179) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
PubChem CID2303179
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
SMILESCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-2-21-13-15-22(16-14-21)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyXNNABTRMDHBRQZ-UHFFFAOYSA-N
XLogP2.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
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
1-[4-[(2R)-3-chloro-2-hydroxypropyl]piperazin-1-yl]-2,2-diphenylethanone
CID 139637301
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
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
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide
CID 42697418
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone;oxalic acid
CID 17384967

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone (CID 2303179) is 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone is CCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone?
The InChIKey is XNNABTRMDHBRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-21-13-15-22(16-14-21)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone?
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone has a molecular weight of 308.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone is sourced from PubChem (CID 2303179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).