4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one

C14H21N3O — CID 118632989

IUPAC4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
SMILESCC(C)(C)c1ccc(CN2CCNC(=O)C2)nc1
InChIInChI=1S/C14H21N3O/c1-14(2,3)11-4-5-12(16-8-11)9-17-7-6-15-13(18)10-17/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,18)
InChIKeyHUOYGQUUQOGUPP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.31
Rot. Bonds2

About 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one

4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one (PubChem CID 118632989) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
PubChem CID118632989
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
SMILESCC(C)(C)c1ccc(CN2CCNC(=O)C2)nc1
InChIInChI=1S/C14H21N3O/c1-14(2,3)11-4-5-12(16-8-11)9-17-7-6-15-13(18)10-17/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,18)
InChIKeyHUOYGQUUQOGUPP-UHFFFAOYSA-N
XLogP1.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one (CID 118632989) is 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one is CC(C)(C)c1ccc(CN2CCNC(=O)C2)nc1.
What is the InChIKey of 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one?
The InChIKey is HUOYGQUUQOGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)11-4-5-12(16-8-11)9-17-7-6-15-13(18)10-17/h4-5,8H,6-7,9-10H2,1-3H3,(H,15,18).
What are the key properties of 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one?
4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one is sourced from PubChem (CID 118632989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).