6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one

C15H24N2O — CID 19012302

IUPAC6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C15H24N2O/c1-2-3-7-14-9-8-13(15(18)16-14)12-17-10-5-4-6-11-17/h8-9H,2-7,10-12H2,1H3,(H,16,18)
InChIKeyADDWMJLGHOGQGM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.70
Rot. Bonds5

About 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one

6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 19012302) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID19012302
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C15H24N2O/c1-2-3-7-14-9-8-13(15(18)16-14)12-17-10-5-4-6-11-17/h8-9H,2-7,10-12H2,1H3,(H,16,18)
InChIKeyADDWMJLGHOGQGM-UHFFFAOYSA-N
XLogP2.70
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one (CID 19012302) is 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one is CCCCc1ccc(CN2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is ADDWMJLGHOGQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-7-14-9-8-13(15(18)16-14)12-17-10-5-4-6-11-17/h8-9H,2-7,10-12H2,1H3,(H,16,18).
What are the key properties of 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one?
6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(piperidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 19012302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).