5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

C13H20N4O3 — CID 62816340

IUPAC5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCN(CCO)CC2)c1
InChIInChI=1S/C13H20N4O3/c14-11-1-2-12(19)17(9-11)10-13(20)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10,14H2
InChIKeyYQJOCFQMBBPIEH-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.43
Rot. Bonds4

About 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 62816340) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID62816340
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCN(CCO)CC2)c1
InChIInChI=1S/C13H20N4O3/c14-11-1-2-12(19)17(9-11)10-13(20)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10,14H2
InChIKeyYQJOCFQMBBPIEH-UHFFFAOYSA-N
XLogP-1.43
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816002
5-amino-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816686
5-amino-1-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]pyridin-2-one
CID 62816359
5-amino-1-[2-(4-methylazepan-1-yl)-2-oxoethyl]pyridin-2-one
CID 55248042
5-amino-1-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 63156508
5-amino-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 94895192
5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one
CID 106313226
5-amino-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]pyridin-2-one
CID 62816871
5-amino-1-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 55118439
5-amino-1-(5-hydroxypentyl)pyridin-2-one
CID 62228479
5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 62815109
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 62817039

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 62816340) is 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCN(CCO)CC2)c1.
What is the InChIKey of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is YQJOCFQMBBPIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-11-1-2-12(19)17(9-11)10-13(20)16-5-3-15(4-6-16)7-8-18/h1-2,9,18H,3-8,10,14H2.
What are the key properties of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 280.33 g/mol, XLogP of -1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62816340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).