4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one

C12H17N3O — CID 59019290

IUPAC4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C12H17N3O/c1-9(2)10-3-4-11(14-7-10)15-6-5-13-12(16)8-15/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,16)
InChIKeyWIPOJWKFDLKGDS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.14
Rot. Bonds2

About 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one

4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one (PubChem CID 59019290) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
PubChem CID59019290
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C12H17N3O/c1-9(2)10-3-4-11(14-7-10)15-6-5-13-12(16)8-15/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,16)
InChIKeyWIPOJWKFDLKGDS-UHFFFAOYSA-N
XLogP1.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one (CID 59019290) is 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one is CC(C)c1ccc(N2CCNC(=O)C2)nc1.
What is the InChIKey of 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one?
The InChIKey is WIPOJWKFDLKGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)10-3-4-11(14-7-10)15-6-5-13-12(16)8-15/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,16).
What are the key properties of 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one?
4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one is sourced from PubChem (CID 59019290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).