N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide

C20H23N3O2 — CID 17459284

IUPACN-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)21-18-9-7-17(8-10-18)15-20(25)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyIOVJCNBURKYWMZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.54
Rot. Bonds4

About N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide

N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide (PubChem CID 17459284) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
PubChem CID17459284
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)21-18-9-7-17(8-10-18)15-20(25)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,21,24)
InChIKeyIOVJCNBURKYWMZ-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 9255560
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 113078225
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 18104715
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 1056059
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
N-[4-[2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 167653626
2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
CID 42768636
N-[4-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 80702262
2-(4-aminophenyl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119860765

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide (CID 17459284) is N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
The InChIKey is IOVJCNBURKYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16(24)21-18-9-7-17(8-10-18)15-20(25)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10H,11-15H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 17459284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).