1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one

C11H20N2O4 — CID 60686436

IUPAC1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN(CCO)CCO)CC1
InChIInChI=1S/C11H20N2O4/c14-7-5-12(6-8-15)9-11(17)13-3-1-10(16)2-4-13/h14-15H,1-9H2
InChIKeyCERQTVMPGZOAJE-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.54
Rot. Bonds6

About 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one

1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one (PubChem CID 60686436) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one
PubChem CID60686436
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CN(CCO)CCO)CC1
InChIInChI=1S/C11H20N2O4/c14-7-5-12(6-8-15)9-11(17)13-3-1-10(16)2-4-13/h14-15H,1-9H2
InChIKeyCERQTVMPGZOAJE-UHFFFAOYSA-N
XLogP-1.54
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one (CID 60686436) is 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one is O=C1CCN(C(=O)CN(CCO)CCO)CC1.
What is the InChIKey of 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one?
The InChIKey is CERQTVMPGZOAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-7-5-12(6-8-15)9-11(17)13-3-1-10(16)2-4-13/h14-15H,1-9H2.
What are the key properties of 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one?
1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one has a molecular weight of 244.29 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 60686436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).