N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide

C26H27N3O2 — CID 1055921

IUPACN-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O2/c30-25(16-11-21-7-3-1-4-8-21)27-23-12-14-24(15-13-23)28-17-19-29(20-18-28)26(31)22-9-5-2-6-10-22/h1-10,12-15H,11,16-20H2,(H,27,30)
InChIKeyGFORXPFWURVLNG-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.22
Rot. Bonds6

About N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide

N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 1055921) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
PubChem CID1055921
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O2/c30-25(16-11-21-7-3-1-4-8-21)27-23-12-14-24(15-13-23)28-17-19-29(20-18-28)26(31)22-9-5-2-6-10-22/h1-10,12-15H,11,16-20H2,(H,27,30)
InChIKeyGFORXPFWURVLNG-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
CID 167174450
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]pentanamide
CID 4630313
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
CID 1056346

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide (CID 1055921) is N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is GFORXPFWURVLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-25(16-11-21-7-3-1-4-8-21)27-23-12-14-24(15-13-23)28-17-19-29(20-18-28)26(31)22-9-5-2-6-10-22/h1-10,12-15H,11,16-20H2,(H,27,30).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide?
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 413.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 1055921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).