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

C24H33N3O — CID 38809706

IUPAC2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H33N3O/c1-2-3-7-21-10-12-22(13-11-21)20-24(28)25-14-15-26-16-18-27(19-17-26)23-8-5-4-6-9-23/h4-6,8-13H,2-3,7,14-20H2,1H3,(H,25,28)
InChIKeyCGCCCMYTIBHUOM-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.51
Rot. Bonds9

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

2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 38809706) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID38809706
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H33N3O/c1-2-3-7-21-10-12-22(13-11-21)20-24(28)25-14-15-26-16-18-27(19-17-26)23-8-5-4-6-9-23/h4-6,8-13H,2-3,7,14-20H2,1H3,(H,25,28)
InChIKeyCGCCCMYTIBHUOM-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
2-[4-(difluoromethoxy)phenyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448239
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 38809706) is 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is CCCCc1ccc(CC(=O)NCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is CGCCCMYTIBHUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-2-3-7-21-10-12-22(13-11-21)20-24(28)25-14-15-26-16-18-27(19-17-26)23-8-5-4-6-9-23/h4-6,8-13H,2-3,7,14-20H2,1H3,(H,25,28).
What are the key properties of 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 379.55 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 38809706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).