1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one

C14H19N3O2 — CID 110873668

IUPAC1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)c2ccncc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-9-8-16(10-12(17)18)13(19)11-4-6-15-7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyDOXOEODVRJVUMO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.16
Rot. Bonds1

About 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one

1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one (PubChem CID 110873668) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one
PubChem CID110873668
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)c2ccncc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-14(2,3)17-9-8-16(10-12(17)18)13(19)11-4-6-15-7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyDOXOEODVRJVUMO-UHFFFAOYSA-N
XLogP1.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one (CID 110873668) is 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one is CC(C)(C)N1CCN(C(=O)c2ccncc2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one?
The InChIKey is DOXOEODVRJVUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)17-9-8-16(10-12(17)18)13(19)11-4-6-15-7-5-11/h4-7H,8-10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one?
1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(pyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 110873668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).