6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C16H24N2O2 — CID 71852546

IUPAC6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(CC(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C16H24N2O2/c1-11(2)9-13-5-4-8-18(10-13)16(20)14-7-6-12(3)17-15(14)19/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyGVBSAWNQLIVNEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds3

About 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 71852546) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID71852546
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(CC(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C16H24N2O2/c1-11(2)9-13-5-4-8-18(10-13)16(20)14-7-6-12(3)17-15(14)19/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyGVBSAWNQLIVNEX-UHFFFAOYSA-N
XLogP2.58
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 71852546) is 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC(CC(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GVBSAWNQLIVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)9-13-5-4-8-18(10-13)16(20)14-7-6-12(3)17-15(14)19/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,19).
What are the key properties of 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(2-methylpropyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 71852546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).