6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one

C15H25N3O — CID 146536241

IUPAC6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-12-5-6-14(19)16-13(12)11-17-7-9-18(10-8-17)15(2,3)4/h5-6H,7-11H2,1-4H3,(H,16,19)
InChIKeyZWDZNVXZLIPFCC-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.60
Rot. Bonds2

About 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one

6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one (PubChem CID 146536241) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one
PubChem CID146536241
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-12-5-6-14(19)16-13(12)11-17-7-9-18(10-8-17)15(2,3)4/h5-6H,7-11H2,1-4H3,(H,16,19)
InChIKeyZWDZNVXZLIPFCC-UHFFFAOYSA-N
XLogP1.60
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one (CID 146536241) is 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one is Cc1ccc(=O)[nH]c1CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one?
The InChIKey is ZWDZNVXZLIPFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-5-6-14(19)16-13(12)11-17-7-9-18(10-8-17)15(2,3)4/h5-6H,7-11H2,1-4H3,(H,16,19).
What are the key properties of 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one?
6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylpiperazin-1-yl)methyl]-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 146536241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).