3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C12H17N3O3 — CID 43416387

IUPAC3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H17N3O3/c16-9-8-14-4-6-15(7-5-14)12(18)10-2-1-3-13-11(10)17/h1-3,16H,4-9H2,(H,13,17)
InChIKeySBQLVRBDCFDOAO-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.88
Rot. Bonds3

About 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one

3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 43416387) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID43416387
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H17N3O3/c16-9-8-14-4-6-15(7-5-14)12(18)10-2-1-3-13-11(10)17/h1-3,16H,4-9H2,(H,13,17)
InChIKeySBQLVRBDCFDOAO-UHFFFAOYSA-N
XLogP-0.88
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 43416387) is 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SBQLVRBDCFDOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-9-8-14-4-6-15(7-5-14)12(18)10-2-1-3-13-11(10)17/h1-3,16H,4-9H2,(H,13,17).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 43416387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).