6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one

C16H24N2O3 — CID 75483567

IUPAC6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC(OC(C)(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H24N2O3/c1-11-9-12(10-14(19)17-11)15(20)18-7-5-13(6-8-18)21-16(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,17,19)
InChIKeyQCSXJMHCPUSZCJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.10
Rot. Bonds2

About 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 75483567) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID75483567
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC(OC(C)(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H24N2O3/c1-11-9-12(10-14(19)17-11)15(20)18-7-5-13(6-8-18)21-16(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,17,19)
InChIKeyQCSXJMHCPUSZCJ-UHFFFAOYSA-N
XLogP2.10
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 75483567) is 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC(OC(C)(C)C)CC2)cc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is QCSXJMHCPUSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-12(10-14(19)17-11)15(20)18-7-5-13(6-8-18)21-16(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,17,19).
What are the key properties of 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 292.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 75483567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).