N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C19H24N4O — CID 2997859

IUPACN-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NCCc1ccccc1
InChIInChI=1S/C19H24N4O/c24-19(21-11-9-17-6-2-1-3-7-17)16-22-12-14-23(15-13-22)18-8-4-5-10-20-18/h1-8,10H,9,11-16H2,(H,21,24)
InChIKeyNCPKQIBFJUKLNI-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.56
Rot. Bonds6

About N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 2997859) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID2997859
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)NCCc1ccccc1
InChIInChI=1S/C19H24N4O/c24-19(21-11-9-17-6-2-1-3-7-17)16-22-12-14-23(15-13-22)18-8-4-5-10-20-18/h1-8,10H,9,11-16H2,(H,21,24)
InChIKeyNCPKQIBFJUKLNI-UHFFFAOYSA-N
XLogP1.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 2997859) is N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is NCPKQIBFJUKLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(21-11-9-17-6-2-1-3-7-17)16-22-12-14-23(15-13-22)18-8-4-5-10-20-18/h1-8,10H,9,11-16H2,(H,21,24).
What are the key properties of N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 324.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2997859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).