4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid

C19H20N2O3 — CID 28801263

IUPAC4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c22-18(14-15-4-2-1-3-5-15)21-12-10-20(11-13-21)17-8-6-16(7-9-17)19(23)24/h1-9H,10-14H2,(H,23,24)
InChIKeyPODFZMBDJUKDNP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.28
Rot. Bonds4

About 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid

4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid (PubChem CID 28801263) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid
PubChem CID28801263
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c22-18(14-15-4-2-1-3-5-15)21-12-10-20(11-13-21)17-8-6-16(7-9-17)19(23)24/h1-9H,10-14H2,(H,23,24)
InChIKeyPODFZMBDJUKDNP-UHFFFAOYSA-N
XLogP2.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid?
The IUPAC name of 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid (CID 28801263) is 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid is O=C(O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid?
The InChIKey is PODFZMBDJUKDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(14-15-4-2-1-3-5-15)21-12-10-20(11-13-21)17-8-6-16(7-9-17)19(23)24/h1-9H,10-14H2,(H,23,24).
What are the key properties of 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid?
4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid has a molecular weight of 324.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylacetyl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 28801263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).