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

C13H22N4O2 — CID 43575214

IUPAC5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C13H22N4O2/c14-12-1-2-13(19)17(11-12)8-7-15-3-5-16(6-4-15)9-10-18/h1-2,11,18H,3-10,14H2
InChIKeyPOSXCAPBGGKKQJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.96
Rot. Bonds5

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

5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one (PubChem CID 43575214) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
PubChem CID43575214
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C13H22N4O2/c14-12-1-2-13(19)17(11-12)8-7-15-3-5-16(6-4-15)9-10-18/h1-2,11,18H,3-10,14H2
InChIKeyPOSXCAPBGGKKQJ-UHFFFAOYSA-N
XLogP-0.96
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one (CID 43575214) is 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one is Nc1ccc(=O)n(CCN2CCN(CCO)CC2)c1.
What is the InChIKey of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one?
The InChIKey is POSXCAPBGGKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-12-1-2-13(19)17(11-12)8-7-15-3-5-16(6-4-15)9-10-18/h1-2,11,18H,3-10,14H2.
What are the key properties of 5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one?
5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]pyridin-2-one has a molecular weight of 266.34 g/mol, XLogP of -0.96, 5 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]ethyl]pyridin-2-one is sourced from PubChem (CID 43575214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).