2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide

C21H25N3O2 — CID 2944636

IUPAC2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-2-21(26)24-14-12-23(13-15-24)19-11-7-6-10-18(19)22-20(25)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyRRBDDFJPMZNFMV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.93
Rot. Bonds5

About 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide

2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2944636) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
PubChem CID2944636
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-2-21(26)24-14-12-23(13-15-24)19-11-7-6-10-18(19)22-20(25)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25)
InChIKeyRRBDDFJPMZNFMV-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide (CID 2944636) is 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is RRBDDFJPMZNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-21(26)24-14-12-23(13-15-24)19-11-7-6-10-18(19)22-20(25)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,25).
What are the key properties of 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2944636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).