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

C20H24N4O3 — CID 108950910

IUPACN-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H24N4O3/c1-2-27-17-8-6-16(7-9-17)22-19(25)15-20(26)24-13-11-23(12-14-24)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyNMKHBZGBGAOODA-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.16
Rot. Bonds6

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

N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 108950910) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID108950910
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H24N4O3/c1-2-27-17-8-6-16(7-9-17)22-19(25)15-20(26)24-13-11-23(12-14-24)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyNMKHBZGBGAOODA-UHFFFAOYSA-N
XLogP2.16
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.16
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-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950946
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100171
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 51143754
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255853

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 108950910) is N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CCOc1ccc(NC(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is NMKHBZGBGAOODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-27-17-8-6-16(7-9-17)22-19(25)15-20(26)24-13-11-23(12-14-24)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 368.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108950910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).