4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide

C22H27N3O2 — CID 110812994

IUPAC4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-12-23-22(27)25-15-13-24(14-16-25)21(26)17-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,23,27)
InChIKeyLBOPEWGPVBJIPM-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.16
Rot. Bonds5

About 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide

4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110812994) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide
PubChem CID110812994
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-12-23-22(27)25-15-13-24(14-16-25)21(26)17-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,23,27)
InChIKeyLBOPEWGPVBJIPM-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-fluorophenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110811568
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
CID 51107206
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813101
4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813172
4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
CID 60612186
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide (CID 110812994) is 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is LBOPEWGPVBJIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-12-23-22(27)25-15-13-24(14-16-25)21(26)17-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,23,27).
What are the key properties of 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide?
4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylphenyl)acetyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).