2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide

C21H25N3O2 — CID 18078428

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
SMILESCC(=O)N1CCN(C(C)C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-16(23-12-14-24(15-13-23)17(2)25)21(26)22-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16H,12-15H2,1-2H3,(H,22,26)
InChIKeyITJJUERUAVYRPI-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide

2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide (PubChem CID 18078428) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
PubChem CID18078428
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
SMILESCC(=O)N1CCN(C(C)C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-16(23-12-14-24(15-13-23)17(2)25)21(26)22-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16H,12-15H2,1-2H3,(H,22,26)
InChIKeyITJJUERUAVYRPI-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97067590
(3S,4S)-4-methyl-1-[1-oxo-1-(2-phenylanilino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 122120956
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
(2S)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30626970
2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 86959656

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide (CID 18078428) is 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide is CC(=O)N1CCN(C(C)C(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
The InChIKey is ITJJUERUAVYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(23-12-14-24(15-13-23)17(2)25)21(26)22-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,16H,12-15H2,1-2H3,(H,22,26).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 18078428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).