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

C21H27N3O — CID 22066687

IUPACN-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyBYOCSCZGFDKXFO-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.69
Rot. Bonds6

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

N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide (PubChem CID 22066687) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide
PubChem CID22066687
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyBYOCSCZGFDKXFO-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide (CID 22066687) is N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide?
The InChIKey is BYOCSCZGFDKXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide?
N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]methyl]acetamide is sourced from PubChem (CID 22066687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).