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

C20H24ClN3O — CID 42266128

IUPAC2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-18-8-6-17(7-9-18)16-20(25)22-10-11-23-12-14-24(15-13-23)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)
InChIKeyAOXYKFXWTCOONN-UHFFFAOYSA-N
MW357.89 g/mol
LogP2.82
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 42266128) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID42266128
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c21-18-8-6-17(7-9-18)16-20(25)22-10-11-23-12-14-24(15-13-23)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)
InChIKeyAOXYKFXWTCOONN-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110397785
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 42266128) is 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is AOXYKFXWTCOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-18-8-6-17(7-9-18)16-20(25)22-10-11-23-12-14-24(15-13-23)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 357.89 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 42266128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).