N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

C20H22N4O2 — CID 109050927

IUPACN-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESC=CCNC(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-2-9-22-19(25)16-6-5-7-17(15-16)20(26)24-13-11-23(12-14-24)18-8-3-4-10-21-18/h2-8,10,15H,1,9,11-14H2,(H,22,25)
InChIKeyFIFJPYWCCZKHAQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.96
Rot. Bonds5

About N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (PubChem CID 109050927) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
PubChem CID109050927
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESC=CCNC(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H22N4O2/c1-2-9-22-19(25)16-6-5-7-17(15-16)20(26)24-13-11-23(12-14-24)18-8-3-4-10-21-18/h2-8,10,15H,1,9,11-14H2,(H,22,25)
InChIKeyFIFJPYWCCZKHAQ-UHFFFAOYSA-N
XLogP1.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 55915923
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109224016
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957634
3-methyl-N-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]benzamide
CID 111220169
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (CID 109050927) is N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is C=CCNC(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The InChIKey is FIFJPYWCCZKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-9-22-19(25)16-6-5-7-17(15-16)20(26)24-13-11-23(12-14-24)18-8-3-4-10-21-18/h2-8,10,15H,1,9,11-14H2,(H,22,25).
What are the key properties of N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109050927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).