5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C16H24N2O3 — CID 97153912

IUPAC5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H24N2O3/c1-17-12-13(8-9-15(17)19)16(20)18-10-4-3-6-14(18)7-5-11-21-2/h8-9,12,14H,3-7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyIWDZQKVYJMCUGT-AWEZNQCLSA-N
MW292.38 g/mol
LogP1.81
Rot. Bonds5

About 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 97153912) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID97153912
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H24N2O3/c1-17-12-13(8-9-15(17)19)16(20)18-10-4-3-6-14(18)7-5-11-21-2/h8-9,12,14H,3-7,10-11H2,1-2H3/t14-/m0/s1
InChIKeyIWDZQKVYJMCUGT-AWEZNQCLSA-N
XLogP1.81
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 97153912) is 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is COCCC[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is IWDZQKVYJMCUGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-12-13(8-9-15(17)19)16(20)18-10-4-3-6-14(18)7-5-11-21-2/h8-9,12,14H,3-7,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(3-methoxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 97153912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).