1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone

C21H24N2O2 — CID 43007461

IUPAC1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-17(24)22-13-15-23(16-14-22)21(25)20-10-6-5-9-19(20)12-11-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyGUYJWPYUTGOOBZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.78
Rot. Bonds4

About 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone

1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 43007461) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
PubChem CID43007461
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c1-17(24)22-13-15-23(16-14-22)21(25)20-10-6-5-9-19(20)12-11-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyGUYJWPYUTGOOBZ-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123
1-[2-(2-phenylethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355127
N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide
CID 37213698
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid
CID 19024124
methyl 2-(2-phenylethyl)benzoate
CID 59701000
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547346
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone (CID 43007461) is 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is GUYJWPYUTGOOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-17(24)22-13-15-23(16-14-22)21(25)20-10-6-5-9-19(20)12-11-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone?
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 43007461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).