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

C13H18N2O3 — CID 62370926

IUPAC3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H18N2O3/c16-8-5-10-3-2-7-15(9-10)13(18)11-4-1-6-14-12(11)17/h1,4,6,10,16H,2-3,5,7-9H2,(H,14,17)
InChIKeyMSFBWJIHFTYCPW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.61
Rot. Bonds3

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

3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 62370926) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID62370926
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H18N2O3/c16-8-5-10-3-2-7-15(9-10)13(18)11-4-1-6-14-12(11)17/h1,4,6,10,16H,2-3,5,7-9H2,(H,14,17)
InChIKeyMSFBWJIHFTYCPW-UHFFFAOYSA-N
XLogP0.61
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 62370926) is 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCCC(CCO)C1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is MSFBWJIHFTYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-5-10-3-2-7-15(9-10)13(18)11-4-1-6-14-12(11)17/h1,4,6,10,16H,2-3,5,7-9H2,(H,14,17).
What are the key properties of 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 62370926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).