4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one

C14H22N2O2 — CID 68725705

IUPAC4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one
SMILESCC(C)(C)N1CCC(Oc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-8-5-11(6-9-16)18-12-4-7-15-13(17)10-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,15,17)
InChIKeyZBBULGYZVJYTNH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds2

About 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one

4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one (PubChem CID 68725705) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one
PubChem CID68725705
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one
SMILESCC(C)(C)N1CCC(Oc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-8-5-11(6-9-16)18-12-4-7-15-13(17)10-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,15,17)
InChIKeyZBBULGYZVJYTNH-UHFFFAOYSA-N
XLogP2.02
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylic acid
CID 91402575
1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine
CID 138637271
4-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
CID 103241488
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
4-(1-tert-butylpiperidin-3-yl)oxy-2-chloropyridine
CID 87418046
1-tert-butyl-4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidine
CID 146201419
ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one
CID 142407936
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174977791
5-(1-tert-butylpiperidin-4-yl)-4-methyl-1H-pyrrolo[2,3-c]pyridine
CID 155226398
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
1-tert-butyl-4-(4-methoxyphenyl)piperidine
CID 58245809
6-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole
CID 141109073

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one (CID 68725705) is 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one is CC(C)(C)N1CCC(Oc2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one?
The InChIKey is ZBBULGYZVJYTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)16-8-5-11(6-9-16)18-12-4-7-15-13(17)10-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,15,17).
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one?
4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one is sourced from PubChem (CID 68725705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).