2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide

C17H20N4O — CID 17066599

IUPAC2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccncc1
InChIInChI=1S/C17H20N4O/c22-17(19-15-6-8-18-9-7-15)14-20-10-12-21(13-11-20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,18,19,22)
InChIKeyRJISHEZWTJQLJZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide

2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide (PubChem CID 17066599) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide
PubChem CID17066599
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccncc1
InChIInChI=1S/C17H20N4O/c22-17(19-15-6-8-18-9-7-15)14-20-10-12-21(13-11-20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,18,19,22)
InChIKeyRJISHEZWTJQLJZ-UHFFFAOYSA-N
XLogP1.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide (CID 17066599) is 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1ccncc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide?
The InChIKey is RJISHEZWTJQLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(19-15-6-8-18-9-7-15)14-20-10-12-21(13-11-20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,18,19,22).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide?
2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide has a molecular weight of 296.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 17066599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).