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

C14H21N3O3 — CID 56781886

IUPAC3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(O)CN1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O3/c1-14(2,20)10-16-6-8-17(9-7-16)13(19)11-4-3-5-15-12(11)18/h3-5,20H,6-10H2,1-2H3,(H,15,18)
InChIKeyCMUOQJXENVOAPS-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.10
Rot. Bonds3

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

3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56781886) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56781886
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(O)CN1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C14H21N3O3/c1-14(2,20)10-16-6-8-17(9-7-16)13(19)11-4-3-5-15-12(11)18/h3-5,20H,6-10H2,1-2H3,(H,15,18)
InChIKeyCMUOQJXENVOAPS-UHFFFAOYSA-N
XLogP-0.10
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 56781886) is 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is CC(C)(O)CN1CCN(C(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CMUOQJXENVOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,20)10-16-6-8-17(9-7-16)13(19)11-4-3-5-15-12(11)18/h3-5,20H,6-10H2,1-2H3,(H,15,18).
What are the key properties of 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56781886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).