2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide

C26H29N3O — CID 66561413

IUPAC2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O/c30-26(21-22-8-3-1-4-9-22)27-24-11-7-10-23(20-24)14-15-28-16-18-29(19-17-28)25-12-5-2-6-13-25/h1-13,20H,14-19,21H2,(H,27,30)
InChIKeyZLXLUDPOWFEMCX-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.23
Rot. Bonds7

About 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide

2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide (PubChem CID 66561413) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
PubChem CID66561413
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O/c30-26(21-22-8-3-1-4-9-22)27-24-11-7-10-23(20-24)14-15-28-16-18-29(19-17-28)25-12-5-2-6-13-25/h1-13,20H,14-19,21H2,(H,27,30)
InChIKeyZLXLUDPOWFEMCX-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-[3-[5-(4-phenylpiperazin-1-yl)pentyl]phenyl]propanethioamide
CID 88680326
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
CID 66561333
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide (CID 66561413) is 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide is O=C(Cc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
The InChIKey is ZLXLUDPOWFEMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-26(21-22-8-3-1-4-9-22)27-24-11-7-10-23(20-24)14-15-28-16-18-29(19-17-28)25-12-5-2-6-13-25/h1-13,20H,14-19,21H2,(H,27,30).
What are the key properties of 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide?
2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 66561413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).