5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one

C12H16N2O3 — CID 43216518

IUPAC5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCOC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-6-14(7-5-10)12(16)9-2-3-11(15)13-8-9/h2-3,8,10H,4-7H2,1H3,(H,13,15)
InChIKeySGQFEOCFJPSLKG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.63
Rot. Bonds2

About 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one

5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 43216518) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID43216518
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCOC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H16N2O3/c1-17-10-4-6-14(7-5-10)12(16)9-2-3-11(15)13-8-9/h2-3,8,10H,4-7H2,1H3,(H,13,15)
InChIKeySGQFEOCFJPSLKG-UHFFFAOYSA-N
XLogP0.63
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one (CID 43216518) is 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one is COC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is SGQFEOCFJPSLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-4-6-14(7-5-10)12(16)9-2-3-11(15)13-8-9/h2-3,8,10H,4-7H2,1H3,(H,13,15).
What are the key properties of 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one?
5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 43216518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).