N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H19N5O2 — CID 108950946

IUPACN-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H19N5O2/c20-14-15-4-6-16(7-5-15)22-18(25)13-19(26)24-11-9-23(10-12-24)17-3-1-2-8-21-17/h1-8H,9-13H2,(H,22,25)
InChIKeyIFIBFFNPDBBHAY-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.63
Rot. Bonds4

About N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 108950946) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID108950946
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H19N5O2/c20-14-15-4-6-16(7-5-15)22-18(25)13-19(26)24-11-9-23(10-12-24)17-3-1-2-8-21-17/h1-8H,9-13H2,(H,22,25)
InChIKeyIFIBFFNPDBBHAY-UHFFFAOYSA-N
XLogP1.63
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
N-(4-cyanophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109216287
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
N-(4-cyanophenyl)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113181086
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 51143754
4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]benzonitrile
CID 109004969
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 108950946) is N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is N#Cc1ccc(NC(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is IFIBFFNPDBBHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-14-15-4-6-16(7-5-15)22-18(25)13-19(26)24-11-9-23(10-12-24)17-3-1-2-8-21-17/h1-8H,9-13H2,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108950946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).