2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid

C19H27N4O5P — CID 70588001

IUPAC2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid
SMILESNC(=O)c1ccccc1NCCN1CCN(c2ccccc2)CC1.O=P(O)(O)O
InChIInChI=1S/C19H24N4O.H3O4P/c20-19(24)17-8-4-5-9-18(17)21-10-11-22-12-14-23(15-13-22)16-6-2-1-3-7-16;1-5(2,3)4/h1-9,21H,10-15H2,(H2,20,24);(H3,1,2,3,4)
InChIKeyBXIZMIDHXQYOLB-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.09
Rot. Bonds6

About 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid

2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid (PubChem CID 70588001) has the molecular formula C19H27N4O5P and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid.

Molecular Properties

Compound Name2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid
PubChem CID70588001
Molecular FormulaC19H27N4O5P
Molecular Weight422.42 g/mol
Exact Mass422.17
IUPAC Name2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid
SMILESNC(=O)c1ccccc1NCCN1CCN(c2ccccc2)CC1.O=P(O)(O)O
InChIInChI=1S/C19H24N4O.H3O4P/c20-19(24)17-8-4-5-9-18(17)21-10-11-22-12-14-23(15-13-22)16-6-2-1-3-7-16;1-5(2,3)4/h1-9,21H,10-15H2,(H2,20,24);(H3,1,2,3,4)
InChIKeyBXIZMIDHXQYOLB-UHFFFAOYSA-N
XLogP1.09
TPSA139.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid?
The IUPAC name of 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid (CID 70588001) is 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid.
What is the SMILES notation for 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid?
The canonical SMILES for 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid is NC(=O)c1ccccc1NCCN1CCN(c2ccccc2)CC1.O=P(O)(O)O.
What is the InChIKey of 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid?
The InChIKey is BXIZMIDHXQYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.H3O4P/c20-19(24)17-8-4-5-9-18(17)21-10-11-22-12-14-23(15-13-22)16-6-2-1-3-7-16;1-5(2,3)4/h1-9,21H,10-15H2,(H2,20,24);(H3,1,2,3,4).
What are the key properties of 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid?
2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid has a molecular weight of 422.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid is sourced from PubChem (CID 70588001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).